!
! SIX-CHARACTER REFERENCE-DATE CODES
!
!
! Letters Reference Numbers
! __________________________________________________________________
!
! g Glenn Research Center Month/year calculated
!
! j NIST-JANAF Thermochemical Month/year of table
! Tables. Chase,1998
!
! tpis Thermodynamic Properties of Year of volume
! Individual Substances. Gurvich,
! 1978,1979,1982,1989,1991,1996
!
! n TRC Thermodynamic Tables, NIST Month/year of table
!
! bar Barin:Thermochemical Data of Year of volume
! Pure Substances. Barin,1989
!
! coda CODATA Key Values for Year of volume
! Thermodynamics. Cox,1989
!
! srd Standard Reference Data Year of J.Phys.Chem.Ref.
! Data journal
!
!
!
! ORDER OF SPECIES
!
!
! 1) Gaseous products/reactants
!
! 2) Condensed products/reactants
!
! 3) Gaseous/condensed reactants only (starts with "Air")
!
!
!
thermo
200.00 1000.00 6000.00 20000. 5/03/02
e- Ref-Species. Chase,1998 3/82.
3 g12/98 E 1.00 0.00 0.00 0.00 0.00 0.000548579903 0.000
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.453750000D+02-1.172081224D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.453750000D+02-1.172081224D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.453750000D+02-1.172081224D+01
Ag Hf:Cox,1989. Moore,1971. Gordon,1999.
3 g10/97 AG 1.00 0.00 0.00 0.00 0.00 0 107.8682000 284900.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 3.352002370D+04 6.562819350D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-3.309926370D+05 9.820086420D+02 1.381179917D+00 6.170899990D-04-1.688114600D-07
2.008826848D-11-5.627285655D-16 2.726719171D+04 1.456862733D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-3.717441500D+08 2.758069172D+05-7.385982610D+01 9.606158720D-03-5.393935740D-07
1.358856730D-11-1.272610104D-16 -2.107724971D+06 6.628374570D+02
Ag+ Moore,1971. Gordon,1999.
3 g10/97 AG 1.00E -1.00 0.00 0.00 0.00 0 107.8676514 1022093.730
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.530
3.691132750D+06-4.316983000D+04 2.028445385D+02-4.658413740D-01 5.586200510D-04
-3.154880975D-07 6.578702060D-11 3.371574470D+05-1.142924427D+03
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.530
-5.327432350D+07 1.310710631D+05-1.098820208D+02 4.826002760D-02-1.093661557D-05
1.263835910D-09-5.852542535D-14 -7.439122510D+05 8.446266190D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.530
-2.119469170D+08 1.159621936D+05-2.220792532D+01 2.938747589D-03-1.822389545D-07
5.823925360D-12-7.455184012D-17 -8.068014150D+05 2.271702823D+02
Ag- Hotop,1985. Gordon,1999.
3 g10/97 AG 1.00E 1.00 0.00 0.00 0.00 0 107.8687486 153078.728
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.766565919D+04 5.869679800D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.766565919D+04 5.869679800D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.766565919D+04 5.869679800D+00
AL Hf:Cox,1989. Kaufman,1991b. Gordon,1999.
3 g12/97 AL 1.00 0.00 0.00 0.00 0.00 0 26.9815380 330000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6918.671
5.006608890D+03 1.861304407D+01 2.412531111D+00 1.987604647D-04-2.432362152D-07
1.538281506D-10-3.944375734D-14 3.887412680D+04 6.086585765D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6918.671
-2.920820938D+04 1.167751876D+02 2.356906505D+00 7.737231520D-05-1.529455262D-08
-9.971670260D-13 5.053278264D-16 3.823288650D+04 6.600920155D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6918.671
-5.040682320D+08 3.802322650D+05-1.082347159D+02 1.549444292D-02-1.070103856D-06
3.592110900D-11-4.696039394D-16 -2.901050501D+06 9.491883160D+02
AL+ Kaufman,1991b. Moore,1971. Gordon,1999.
3 g 1/98 AL 1.00E -1.00 0.00 0.00 0.00 0 26.9809894 913015.128
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.090644788D+05 3.791005780D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-4.181183250D+03-9.948557270D+00 2.548615878D+00-5.878760040D-05 3.132291294D-08
-7.748894630D-12 7.274447690D-16 1.091011485D+05 3.488667290D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-9.080958540D+08 5.509673040D+05-1.279244177D+02 1.510503026D-02-8.932051950D-07
2.719381070D-11-3.367986284D-16 -4.268693020D+06 1.141245444D+03
AL- Chase,1998 p65 6/83. EA:Hotop,1985. Gordon,1999.
3 g 3/97 AL 1.00E 1.00 0.00 0.00 0.00 0 26.9820866 281090.113
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6756.213
2.910801723D+04-3.836983750D+02 4.655142800D+00-6.045821840D-03 8.577259640D-06
-5.476260000D-09 1.322714061D-12 3.490616980D+04-5.957097700D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6756.213
6.339814320D+05-2.383438463D+03 5.469971130D+00-1.299840355D-03 2.888305470D-07
-3.253240510D-11 1.472436088D-15 4.780306540D+04-1.536906816D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6756.213
5.901212850D+06-2.296000877D+03 3.072774844D+00-6.894714790D-05 4.413313240D-09
-1.445353715D-13 1.905752608D-18 5.241871250D+04 1.451781383D+00
ALBr Gurvich,1996a pt1 p184 pt2 p148.
2 tpis96 AL 1.00BR 1.00 0.00 0.00 0.00 0 106.8855380 14325.015
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9571.115
8.176158640D+03-2.516942718D+02 5.403296330D+00-1.747212920D-03 2.077304770D-06
-1.261267579D-09 3.166335970D-13 1.635024429D+03-2.323594886D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9571.115
-6.103395600D+05 2.010066834D+03 1.769617961D+00 1.929888914D-03-6.641047830D-07
1.172854627D-10-7.178742760D-15 -1.217812867D+04 2.204450764D+01
ALBr2 Gurvich,1996a pt1 p186 pt2 p149.
2 tpis96 AL 1.00BR 2.00 0.00 0.00 0.00 0 186.7895380 -140662.125
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13397.875
3.199375870D+04-7.119178970D+02 9.478258110D+00-4.875531670D-03 5.516512990D-06
-3.340053040D-09 8.368476840D-13 -1.540591306D+04-1.742171366D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13397.875
-3.523782900D+05 4.671544170D+02 7.111908190D+00-5.551709200D-04 3.166301130D-07
-5.521028330D-11 3.176725950D-15 -2.265004078D+04-2.695610360D+00
ALBr3 Gurvich,1996a pt1 p188 pt2 p151.
2 tpis96 AL 1.00BR 3.00 0.00 0.00 0.00 0 266.6935380 -410476.664
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17943.336
4.718948840D+04-1.053853163D+03 1.350747168D+01-6.639869930D-03 7.269276830D-06
-4.278049490D-09 1.045573281D-12 -4.699440330D+04-3.667936780D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17943.336
-8.935527440D+04-2.678035134D+01 1.002063997D+01-8.458764400D-06 1.904243317D-09
-2.215195785D-13 1.038219389D-17 -5.249247640D+04-1.579666403D+01
ALC Gurvich,1996a pt1 p205 pt2 p165.
2 tpis96 AL 1.00C 1.00 0.00 0.00 0.00 0 38.9922380 682283.509
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9058.109
4.139921880D+04-5.858677890D+02 5.962445720D+00-2.006064322D-03 1.665566136D-06
-7.121649210D-10 1.271188744D-13 8.383436110D+04-8.002165050D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9058.109
1.937001487D+06-6.749117790D+03 1.347525643D+01-5.850802650D-03 1.926461091D-06
-2.585922351D-10 1.222659806D-14 1.225363649D+05-6.152244872D+01
ALC2 Gurvich,1996a pt1 p206 pt2 p166.
2 tpis96 AL 1.00C 2.00 0.00 0.00 0.00 0 51.0029380 675615.776
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12262.776
1.524087465D+04-2.649987059D+02 6.280414900D+00-1.786037647D-04 3.791907740D-06
-3.999450070D-09 1.299752388D-12 8.092763280D+04-6.247291862D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12262.776
1.466017895D+05-1.362764489D+03 8.457759150D+00-3.678901680D-04 7.903174500D-08
-8.880023720D-12 4.053633950D-16 8.705924230D+04-2.127956728D+01
ALCL Gurvich,1996a pt1 p168 pt2 p131.
2 tpis96 AL 1.00CL 1.00 0.00 0.00 0.00 0 62.4345380 -51007.443
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9323.112
2.380881392D+04-4.457159420D+02 5.992853990D+00-2.777300261D-03 3.101582418D-06
-1.815268376D-09 4.414662340D-13 -5.202736030D+03-7.383298016D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9323.112
-8.993461220D+05 2.765942061D+03 1.003500696D+00 2.267806833D-03-7.280541600D-07
1.182380673D-10-6.660498130D-15 -2.496164448D+04 2.616925480D+01
ALCL+ Chase,1998 p73.
2 j 6/76 AL 1.00CL 1.00E -1.00 0.00 0.00 0 62.4339894 861849.307
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9154.435
3.469955220D+04-5.479900030D+02 6.106011130D+00-2.674711519D-03 2.696426573D-06
-1.463885068D-09 3.358729060D-13 1.051719510D+05-7.816586372D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9154.435
-7.547240820D+05 1.251545253D+03 4.442424910D+00-9.786116430D-04 6.347511330D-07
-1.158320344D-10 6.870022460D-15 9.318332700D+04 4.047521108D+00
ALCL2 Gurvich,1996a pt1 p171 pt2 p132.
2 tpis96 AL 1.00CL 2.00 0.00 0.00 0.00 0 97.8875380 -240874.252
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12846.859
5.340545950D+04-9.678057980D+02 1.006252671D+01-5.539528450D-03 5.823420560D-06
-3.306542450D-09 7.831562100D-13 -2.607627110D+04-2.393364216D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12846.859
4.303453060D+05-1.552370585D+03 8.760657420D+00-9.467450060D-04 2.401844880D-07
-2.427836709D-11 8.390123470D-16 -2.145884709D+04-1.803641668D+01
ALCL3 Gurvich,1996a pt1 p173 pt2 p134.
2 tpis96 AL 1.00CL 3.00 0.00 0.00 0.00 0 133.3405380 -584678.863
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16400.803
7.750600970D+04-1.440779717D+03 1.401744141D+01-6.381631240D-03 5.871674720D-06
-2.908872278D-09 5.994050890D-13 -6.579343180D+04-4.494017799D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16400.803
-1.378630916D+05-5.579207290D+01 1.004190387D+01-1.682165339D-05 3.724664660D-09
-4.275526780D-13 1.982341329D-17 -7.343407470D+04-2.045130429D+01
ALF Gurvich,1996a pt1 p151 pt2 p116.
2 tpis96 AL 1.00F 1.00 0.00 0.00 0.00 0 45.9799412 -264060.446
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8892.107
3.020771686D+04-3.080986949D+02 3.886413140D+00 3.564343690D-03-5.858471280D-06
4.388109920D-09-1.256906273D-12 -3.117572862D+04 2.032567172D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8892.107
-7.111229050D+05 1.903013316D+03 2.191607179D+00 1.421471467D-03-4.179634770D-07
6.153804400D-11-2.945403999D-15 -4.540728960D+04 1.613163743D+01
ALF+ Chase,1998 p92.
2 j 6/76 AL 1.00F 1.00E -1.00 0.00 0.00 0 45.9793926 692233.561
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8812.687
3.643038120D+04-2.524634478D+02 3.105310486D+00 5.733270430D-03-8.839786990D-06
6.343579590D-09-1.645011685D-12 8.370237450D+04 6.764015580D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8812.687
1.505101126D+06-2.236668821D+03 3.098216724D+00 3.115413930D-03-1.168427068D-06
1.773587168D-10-9.665841380D-15 9.885083850D+04 5.991894590D+00
ALFCL Gurvich,1996a pt1 p182 pt2 p144.
2 tpis96 AL 1.00F 1.00CL 1.00 0.00 0.00 0 81.4329412 -436409.913
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12133.195
4.104779480D+04-5.769646420D+02 6.562642700D+00 4.106285840D-03-7.213921120D-06
5.486401450D-09-1.580656193D-12 -5.114828700D+04-6.041227053D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12133.195
6.970636350D+04-6.224485910D+02 7.573475410D+00-2.236155999D-04 2.382317949D-08
4.443785760D-12-5.486977850D-16 -5.100943200D+04-1.091164505D+01
ALFCL2 Gurvich,1996a pt1 p183 pt2 p146.
2 tpis96 AL 1.00F 1.00CL 2.00 0.00 0.00 0 116.8859412 -791395.404
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15738.260
6.955607340D+04-1.188857902D+03 1.156672590D+01 4.574959490D-04-3.407372830D-06
3.356822540D-09-1.085329228D-12 -9.162049260D+04-3.206065081D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15738.260
-1.720360526D+05-1.193340759D+02 1.008894431D+01-3.550993810D-05 7.830952610D-09
-8.961734230D-13 4.145330260D-17 -9.804185470D+04-2.127046859D+01
ALF2 Gurvich,1996a pt1 p153 pt2 p117.
2 tpis96 AL 1.00F 2.00 0.00 0.00 0.00 0 64.9783444 -631764.175
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11600.932
2.994951991D+04-2.194199915D+02 3.416748760D+00 1.272953936D-02-1.883312206D-05
1.330702256D-08-3.680118630D-12 -7.607537650D+04 8.759626916D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11600.932
-2.146896245D+05 3.096840150D+01 6.816399620D+00 1.820129379D-04-7.793677440D-08
1.472534201D-11-8.803695300D-16 -7.884002680D+04-7.915370474D+00
ALF2- Gurvich,1996a pt1 p154 pt2 p118.
2 tpis96 AL 1.00F 2.00E 1.00 0.00 0.00 0 64.9788930 -853230.685
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11331.815
1.233369037D+05-1.348195504D+03 8.611178050D+00 2.245141297D-04-2.424673201D-06
2.214132430D-09-6.602713960D-13 -9.708437460D+04-2.192617549D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11331.815
-1.590076965D+05-2.060486516D+02 7.155289380D+00-6.260167690D-05 1.391935746D-08
-1.603901265D-12 7.461508520D-17 -1.040479429D+05-1.122696648D+01
ALF2CL Gurvich,1996a pt1 p182 pt2 p145.
2 tpis96 AL 1.00F 2.00CL 1.00 0.00 0.00 0 100.4313444 -999128.145
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14827.517
5.677412090D+04-8.869829470D+02 8.752746550D+00 8.195791200D-03-1.380480934D-05
1.032703706D-08-2.948968416D-12 -1.177936778D+05-1.858347360D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14827.517
-2.115422988D+05-1.959188681D+02 1.014576850D+01-5.813219350D-05 1.281071982D-08
-1.465366277D-12 6.776002450D-17 -1.227153110D+05-2.359853398D+01
ALF3 Gurvich,1996a pt1 p157 pt2 p120.
2 tpis96 AL 1.00F 3.00 0.00 0.00 0.00 0 83.9767476 -1209276.938
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14043.722
4.410263520D+04-5.667495740D+02 5.833072850D+00 1.603535069D-02-2.413263602D-05
1.714106160D-08-4.747543200D-12 -1.443349991D+05-5.461613658D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14043.722
-2.493972160D+05-2.911202519D+02 1.021662932D+01-8.642985970D-05 1.905713108D-08
-2.181058411D-12 1.009055287D-16 -1.475694276D+05-2.703983244D+01
ALF4- Gurvich,1996a pt1 p159 pt2 p121.
2 tpis96 AL 1.00F 4.00E 1.00 0.00 0.00 0 102.9756994 -1951600.806
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16786.835
2.312010037D+05-3.235376780D+03 2.017865547D+01-9.108193500D-03 6.679552630D-06
-2.606075106D-09 4.110060510D-13 -2.211784563D+05-8.677268282D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16786.835
-3.217411610D+05-2.612097043D+02 1.319792654D+01-8.010135410D-05 1.786204421D-08
-2.062751964D-12 9.612581770D-17 -2.381577915D+05-4.231634322D+01
ALH Gurvich,1996a pt1 p139 pt2 p106.
2 tpis96 AL 1.00H 1.00 0.00 0.00 0.00 0 27.9894780 249250.804
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8668.104
-3.759114030D+04 5.089002230D+02 1.128086896D+00 3.988660910D-03-2.150790303D-07
-2.176790819D-09 1.020805902D-12 2.644431827D+04 1.650021856D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8668.104
6.802018430D+06-2.178416933D+04 3.032713047D+01-1.503343597D-02 4.492142360D-06
-6.178450370D-10 3.115205260D-14 1.658301221D+05-1.876766425D+02
ALHCL Gurvich,1996a pt1 p178 pt2 p138.
2 tpis96 AL 1.00H 1.00CL 1.00 0.00 0.00 0 63.4424780 10521.966
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10886.572
3.587169760D+04-5.916249990D+02 6.944542380D+00-2.511543148D-03 6.471332550D-06
-5.642277140D-09 1.715950436D-12 2.750930479D+03-9.903745880D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10886.572
-1.683915330D+05-8.862301790D+02 8.062379400D+00-9.200551470D-04 3.949817220D-07
-6.401086760D-11 3.578354100D-15 3.641504850D+03-1.800686894D+01
ALHCL2 Gurvich,1996a pt1 p179 pt2 p140.
2 tpis96 AL 1.00H 1.00CL 2.00 0.00 0.00 0 98.8954780 -351278.965
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13676.196
1.184828615D+05-2.054157118D+03 1.574696513D+01-1.476257296D-02 2.065336978D-05
-1.420198850D-08 3.826279860D-12 -3.434277460D+04-5.761184061D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13676.196
9.608063940D+04-1.485540161D+03 1.103592709D+01-3.956955200D-04 8.465843730D-08
-9.483336520D-12 4.319033530D-16 -3.669216390D+04-3.236862171D+01
ALHF Gurvich,1996a pt1 p164 pt2 p125.
2 tpis96 AL 1.00H 1.00F 1.00 0.00 0.00 0 46.9878812 -182614.484
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10572.121
-9.289545100D+03 1.335515868D+02 2.772448680D+00 6.751415030D-03-4.133846140D-06
5.865704070D-10 2.276158011D-13 -2.384685845D+04 1.228752581D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10572.121
7.342169250D+05-3.462164130D+03 1.039714588D+01-1.750737965D-03 4.615687860D-07
-5.390414740D-11 2.340478515D-15 -2.965279722D+03-3.713172313D+01
ALHFCL Gurvich,1996a pt1 p184 pt2 p147.
2 tpis96 AL 1.00H 1.00F 1.00CL 1.00 0.00 0 82.4408812 -555244.524
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12532.636
1.290373237D+05-2.142099873D+03 1.485434420D+01-1.140326930D-02 1.564521768D-05
-1.067574855D-08 2.857255247D-12 -5.818303070D+04-5.483424986D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12532.636
4.068987130D+04-1.502129854D+03 1.105214126D+01-4.031587730D-04 8.645252220D-08
-9.700659520D-12 4.423629510D-16 -6.129888110D+04-3.403564016D+01
ALHF2 Gurvich,1996a pt1 p166 pt2 p127.
2 tpis96 AL 1.00H 1.00F 2.00 0.00 0.00 0 65.9862844 -765299.182
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12299.975
1.050181431D+05-1.398654202D+03 9.166334840D+00 3.867286870D-03-4.830841090D-06
3.099287181D-09-8.440702990D-13 -8.659048800D+04-2.557299683D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12299.975
-4.419947300D+03-1.612826324D+03 1.113336052D+01-4.351812660D-04 9.344396160D-08
-1.049431425D-11 4.788333980D-16 -8.606916190D+04-3.676383785D+01
ALH2 Gurvich,1996a pt1 p142 pt2 p107.
2 tpis96 AL 1.00H 2.00 0.00 0.00 0.00 0 28.9974180 276774.934
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10090.834
1.455182996D+04-2.153768996D+02 5.144370230D+00-3.965222030D-03 1.340900203D-05
-1.216744854D-08 3.743107130D-12 3.311037940D+04-3.608799711D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10090.834
1.432910601D+05-2.365907684D+03 9.085667190D+00-1.308536612D-03 4.777191360D-07
-7.324721890D-11 3.997900940D-15 4.485951850D+04-3.220814285D+01
ALH2CL Gurvich,1996a pt1 p179 pt2 p139.
2 tpis96 AL 1.00H 2.00CL 1.00 0.00 0.00 0 64.4504180 -106345.406
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11253.251
9.303828980D+04-1.328188016D+03 9.424763590D+00-3.277660590D-03 1.004231609D-05
-8.948123090D-09 2.708031665D-12 -7.647437930D+03-2.682512215D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11253.251
3.166929930D+05-3.094037914D+03 1.215872020D+01-8.248269590D-04 1.765027123D-07
-1.977372723D-11 9.006176280D-16 2.411845642D+03-4.718390855D+01
ALH2F Gurvich,1996a pt1 p165 pt2 p126.
2 tpis96 AL 1.00H 2.00F 1.00 0.00 0.00 0 47.9958212 -316655.854
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10764.801
8.906039290D+04-9.750803930D+02 5.870772320D+00 6.896663690D-03-4.045817280D-06
7.219318660D-10 7.329846740D-14 -3.425302600D+04-9.387539141D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10764.801
2.711514962D+05-3.169623480D+03 1.221401118D+01-8.465600260D-04 1.812341995D-07
-2.030947985D-11 9.251825820D-16 -2.259217746D+04-4.941337333D+01
ALH3 Gurvich,1996a pt1 p145 pt2 p109.
2 tpis96 AL 1.00H 3.00 0.00 0.00 0.00 0 30.0053580 128896.080
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10410.580
1.481207909D+04-2.836495340D+01 2.507597126D+00 7.315920510D-03 2.331766687D-06
-6.389209890D-09 2.456885069D-12 1.463189428D+04 8.313187700D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10410.580
5.885458550D+05-4.595785660D+03 1.320893344D+01-1.226849004D-03 2.626580824D-07
-2.943725869D-11 1.341177648D-15 3.991716950D+04-6.181829295D+01
ALI Gurvich,1996a pt1 p191 pt2 p153.
2 tpis96 AL 1.00I 1.00 0.00 0.00 0.00 0 153.8860080 67395.017
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9751.117
1.870854131D+03-1.543184003D+02 5.074391880D+00-1.120584830D-03 1.386302156D-06
-8.540782280D-10 2.180358492D-13 7.517443690D+03 6.688267622D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9751.117
4.752817920D+05-1.198028588D+03 5.433685360D+00-1.004479306D-04-1.005928846D-07
4.568173190D-11-3.960201360D-15 1.464627816D+04-3.141199746D+00
ALI2 Gurvich,1996a pt1 p193 pt2 p154.
2 tpis96 AL 1.00I 2.00 0.00 0.00 0.00 0 280.7904780 -33812.954
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13923.046
1.423413595D+04-4.646575690D+02 8.722674910D+00-3.560519290D-03 4.188682290D-06
-2.616026962D-09 6.720195510D-13 -3.846133330D+03-1.073076578D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13923.046
-3.355999020D+05 4.743347940D+02 7.106501390D+00-5.529965340D-04 3.161480314D-07
-5.515489160D-11 3.174155820D-15 -9.785488850D+03-5.602275944D-01
ALI3 Gurvich,1996a pt1 p195 pt2 p156.
2 tpis96 AL 1.00I 3.00 0.00 0.00 0.00 0 407.6949480 -191330.433
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19003.567
2.706032439D+04-7.559936810D+02 1.271396349D+01-5.466884090D-03 6.297618920D-06
-3.864209610D-09 9.774132440D-13 -2.220966921D+04-2.847883861D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19003.567
-6.357427470D+04-1.578772280D+01 1.001249733D+01-5.228673120D-06 1.196173520D-09
-1.409194490D-13 6.671276390D-18 -2.611455525D+04-1.247999813D+01
ALN Gurvich,1996a pt1 p204 pt2 p164.
2 tpis96 AL 1.00N 1.00 0.00 0.00 0.00 0 40.9882380 438829.011
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9265.111
2.716645079D+04-2.543491110D+02 3.538987720D+00 5.296256160D-03-9.845700610D-06
8.452209040D-09-2.592304568D-12 5.309994910D+04 5.399435220D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9265.111
3.821214220D+06-1.067776595D+04 1.449174222D+01-3.727227130D-03 7.922770960D-07
-8.086892210D-11 2.893539736D-15 1.205236340D+05-7.288585119D+01
ALO Gurvich,1996a pt1 p122 pt2 p96.
3 tpis96 AL 1.00O 1.00 0.00 0.00 0.00 0 42.9809380 67319.006
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8788.106
-7.683391100D+03 2.957969549D+02 4.808108440D-01 1.169224855D-02-1.595428871D-05
1.060766814D-08-2.647888708D-12 5.843672170D+03 2.160997839D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8788.106
1.565721161D+04 3.855741010D+03-5.926079780D+00 9.050960420D-03-2.930661549D-06
4.238529070D-10-2.280655341D-14 -1.331694655D+04 6.830663436D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8788.106
4.165661210D+07-3.768608760D+04 1.547867956D+01-9.568730340D-04 2.493109541D-08
6.688940290D-14-8.998673700D-18 2.957786517D+05-9.427715804D+01
ALO+ Chase,1998 p133.
2 j12/79 AL 1.00O 1.00E -1.00 0.00 0.00 0 42.9803894 992993.000
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9089.716
2.829178513D+04-4.179087100D+02 5.313299870D+00-1.410883046D-03 2.526524021D-06
-2.005474816D-09 5.762553550D-13 1.203648109D+05-3.410565930D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9089.716
2.710846446D+04-6.998653420D+02 5.787815840D+00-6.871895460D-04 2.075047303D-07
-2.655281004D-11 1.283129660D-15 1.218682226D+05-7.051035880D+00
ALO- Gurvich,1996a pt1 p125 pt2 p98.
2 g11/97 AL 1.00O 1.00E 1.00 0.00 0.00 0 42.9814866 -272921.782
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8744.718
2.078075267D+04 2.859351226D+00 1.901912370D+00 7.301045660D-03-9.139769870D-06
5.652983190D-09-1.396787103D-12 -3.359267730D+04 1.296339858D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8744.718
-6.971948290D+04-2.320553036D+02 4.672784330D+00-4.266447040D-05 1.632506336D-08
-1.727134051D-12 8.136840640D-17 -3.307718930D+04-2.155922595D+00
ALOCL Gurvich,1996a pt1 p176 pt2 p136.
2 tpis96 AL 1.00O 1.00CL 1.00 0.00 0.00 0 78.4339380 -301564.570
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11906.037
-5.144627790D+03-5.886297070D+01 4.452316930D+00 9.288235090D-03-1.246894823D-05
8.178073540D-09-2.130739934D-12 -3.759683650D+04 2.476862818D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11906.037
-1.258027706D+05-2.420565961D+02 7.681130020D+00-7.268741700D-05 1.611337534D-08
1.852889749D-12 8.607278220D-17 -3.754326050D+04-1.475818320D+01
ALOCL2 Gurvich,1996a pt1 p178 pt2 p137.
2 tpis96 AL 1.00O 1.00CL 2.00 0.00 0.00 0 113.8869380 -402308.669
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15752.494
6.902637130D+04-1.189297500D+03 1.161842739D+01 2.818279805D-04-3.145010615D-06
3.168380650D-09-1.032375462D-12 -4.483323070D+04-3.165475132D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15752.494
-1.707713922D+05-1.180013804D+02 1.008798517D+01-3.513858040D-05 7.751187030D-09
-8.872470600D-13 4.104815440D-17 -5.124944140D+04-2.059252960D+01
ALOF Gurvich,1996a pt1 p163 pt2 p123.
2 tpis96 AL 1.00O 1.00F 1.00 0.00 0.00 0 61.9793412 -572289.603
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11003.003
7.030578360D+03-1.154575430D+02 3.378823590D+00 1.283929158D-02-1.749748388D-05
1.162605473D-08-3.064218613D-12 -6.959381700D+04 5.994804586D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11003.003
-1.641020297D+05-3.277770290D+02 7.744519740D+00-9.788649440D-05 2.165743208D-08
-2.486541919D-12 1.153633944D-16 -6.974085090D+04-1.717253748D+01
ALOF2 Gurvich,1996a pt1 p164 pt2 p124.
2 tpis96 AL 1.00O 1.00F 2.00 0.00 0.00 0 80.9777444 -773649.771
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14055.387
4.756085290D+04-6.124318360D+02 6.050223660D+00 1.559291479D-02-2.366136797D-05
1.688366194D-08-4.690583100D-12 -9.171827490D+04-4.956258224D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14055.387
-2.496681413D+05-2.837821503D+02 1.021108125D+01-8.418303430D-05 1.855520828D-08
-2.122974022D-12 9.819319100D-17 -9.521804190D+04-2.522534812D+01
ALOF2- Chase,1998 p98 6/76.
2 g 2/01 AL 1.00O 1.00F 2.00E 1.00 0.00 0 80.9782930 -972289.619
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14076.981
1.540605112D+05-1.928054597D+03 1.255806423D+01-4.904035370D-04-2.341783347D-06
2.415138600D-09-7.471809250D-13 -1.091430174D+05-4.265821750D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14076.981
-2.389881459D+05-2.880143725D+02 1.021700240D+01-8.747062000D-05 1.944846334D-08
-2.241045051D-12 1.042591053D-16 -1.190576566D+05-2.600779629D+01
ALOH Gurvich,1996a pt1 p146 pt2 p110.
2 tpis96 AL 1.00O 1.00H 1.00 0.00 0.00 0 43.9888780 -192762.171
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10351.931
5.876493180D+04-9.449422690D+02 7.820599180D+00 5.858888470D-04-4.083666810D-06
4.587229340D-09-1.563936726D-12 -1.993283011D+04-2.065043885D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10351.931
7.882068110D+05-2.263671626D+03 7.823954880D+00 1.821171456D-04-8.263729320D-08
1.265414876D-11-6.875972530D-16 -1.039808093D+04-2.209032458D+01
ALOHCL Gurvich,1996a pt1 p180 pt2 p141.
2 tpis96 AL 1.00O 1.00H 1.00CL 1.00 0.00 0 79.4418780 -373785.740
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13918.918
1.636360341D+04-1.915959416D+02 4.711170470D+00 1.388068475D-02-1.999018454D-05
1.439647350D-08-4.033330450D-12 -4.568083720D+04 4.644207506D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13918.918
7.967115510D+05-2.843470502D+03 1.095559970D+01-1.099328162D-04-1.344506283D-08
4.415893770D-12-2.973546112D-16 -2.969861461D+04-3.296113996D+01
ALOHCL2 Gurvich,1996a pt1 p181 pt2 p143.
2 tpis96 AL 1.00O 1.00H 1.00CL 2.00 0.00 0 114.8948780 -725145.408
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17149.806
3.971929860D+04-7.751554960D+02 9.494051530D+00 1.074401359D-02-1.676464791D-05
1.259706368D-08-3.613177980D-12 -8.584796930D+04-1.993481642D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17149.806
7.385929760D+05-2.863204228D+03 1.397062327D+01-1.160311527D-04-1.208248796D-08
4.258327630D-12-2.900049181D-16 -7.293048000D+04-4.681834857D+01
ALOHF Gurvich,1996a pt1 p166 pt2 p128.
2 tpis96 AL 1.00O 1.00H 1.00F 1.00 0.00 0 62.9872812 -574211.575
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13315.081
-1.556003336D+03 2.886581999D+02 7.703793290D-01 2.450406329D-02-3.417811010D-05
2.388932902D-08-6.570480510D-12 -7.177222560D+04 2.453071801D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13315.081
7.557113130D+05-2.936702803D+03 1.102455104D+01-1.373078030D-04-7.432816160D-09
3.729981220D-12-2.657027781D-16 -5.340130900D+04-3.527397302D+01
ALOHF2 Gurvich,1996a pt1 p168 pt2 p130.
2 tpis96 AL 1.00O 1.00H 1.00F 2.00 0.00 0 81.9856844 -1141510.711
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15428.498
1.738263538D+04-1.307687299D+02 3.312381920D+00 2.784734099D-02-3.982363210D-05
2.809344456D-08-7.764574200D-12 -1.384133568D+05 1.004739945D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15428.498
6.530119920D+05-3.034017232D+03 1.409719788D+01-1.663681799D-04-1.011564183D-09
2.993805003D-12-2.315956955D-16 -1.223052213D+05-5.151210690D+01
ALO2 Gurvich,1996a pt1 p126 pt2 p99.
2 tpis96 AL 1.00O 2.00 0.00 0.00 0.00 0 58.9803380 -38657.871
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13361.629
4.338480450D+04-4.735292260D+02 6.001717670D+00 7.094420880D-03-1.129107996D-05
8.252691680D-09-2.327652976D-12 -3.826145800D+03-4.830022480D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13361.629
1.187216642D+05-8.335625400D+02 8.309301190D+00-3.538667220D-04 5.967069460D-08
4.014897700D-14-3.515702520D-16 -2.033107586D+03-1.715063884D+01
ALO2- Gurvich,1996a pt1 p128 pt2 p100.
2 tpis96 AL 1.00O 2.00E 1.00 0.00 0.00 0 58.9808866 -452572.223
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10644.677
1.178678641D+05-1.507186304D+03 9.524749750D+00-5.207989020D-04-1.586902345D-06
1.700455028D-09-5.301419770D-13 -4.825469270D+04-3.081215859D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10644.677
-1.872410758D+05-2.338853263D+02 7.676070020D+00-7.093570300D-05 1.576717569D-08
-1.816494162D-12 8.449707960D-17 -5.594640560D+04-1.773751567D+01
AL(OH)2 Gurvich,1996a pt1 p149 pt2 p113.
2 tpis96 AL 1.00O 2.00H 2.00 0.00 0.00 0 60.9962180 -507660.670
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14027.535
4.397316910D+03 1.327680339D+02 1.093947024D+00 3.054059173D-02-4.375943350D-05
3.174617430D-08-9.004259400D-12 -6.315437390D+04 2.101977655D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14027.535
1.669643735D+06-5.924738280D+03 1.549480264D+01-5.383488080D-04 5.413044530D-08
-1.196022328D-12-1.082001733D-16 -2.697525061D+04-6.617911543D+01
AL(OH)2CL Gurvich,1996a pt1 p181 pt2 p142.
2 tpis96 AL 1.00O 2.00H 2.00CL 1.00 0.00 0 96.4492180 -859056.724
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17222.037
2.477879709D+04-4.454577210D+02 5.928470200D+00 2.730162734D-02-4.041405370D-05
2.974210410D-08-8.477150600D-12 -1.033778030D+05-3.679940779D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17222.037
1.603911487D+06-5.767232240D+03 1.817772266D+01-3.691816150D-04 1.137918702D-08
4.083079400D-12-3.641323430D-16 -7.118699850D+04-7.757541774D+01
AL(OH)2F Gurvich,1996a pt1 p167 pt2 p129.
2 tpis96 AL 1.00O 2.00H 2.00F 1.00 0.00 0 79.9946212 -1069628.708
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16472.051
2.132812662D+04-1.932900224D+02 3.069174664D+00 3.555017330D-02-5.181158330D-05
3.753520280D-08-1.059220701D-11 -1.295797992D+05 1.001897011D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16472.051
1.559238236D+06-5.841273030D+03 1.823229919D+01-3.907805420D-04 1.610928938D-08
3.544784060D-12-3.393453880D-16 -9.623100890D+04-7.971351802D+01
AL(OH)3 Gurvich,1996a pt1 p150 pt2 p115.
2 tpis96 AL 1.00O 3.00H 3.00 0.00 0.00 0 78.0035580 -1012667.542
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17594.767
-1.402475452D+04 3.696073460D+02-2.979600650D-01 4.929859350D-02-6.981572280D-05
5.014801700D-08-1.412480165D-11 -1.255260760D+05 2.711490074D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17594.767
2.477063616D+06-8.968617250D+03 2.280320998D+01-8.320292250D-04 8.663494430D-08
-2.420287082D-12-1.331746442D-16 -7.015278640D+04-1.121899198D+02
ALS Gurvich,1996a pt1 p197 pt2 p158.
2 tpis96 AL 1.00S 1.00 0.00 0.00 0.00 0 59.0465380 232682.009
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9088.109
2.611742801D+04-3.470673890D+02 4.436204590D+00 3.340168210D-03-8.410199670D-06
8.508185110D-09-2.780868507D-12 2.863779062D+04 7.522705491D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9088.109
8.909844290D+06-2.507677454D+04 2.893456134D+01-9.839766820D-03 2.045319809D-06
-2.087970890D-10 8.152792520D-15 1.885761615D+05-1.786036457D+02
ALS2 Gurvich,1996a pt1 p198 pt2 p159.
2 tpis96 AL 1.00S 2.00 0.00 0.00 0.00 0 91.1115380 248535.279
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14428.779
4.252335410D+04-7.764603300D+02 9.801068960D+00-3.910680090D-03 3.875695970D-06
-2.082025593D-09 4.682935890D-13 3.167961540D+04-2.178097896D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14428.779
-6.852563540D+04-2.671667739D+01 7.520193860D+00-8.148565100D-06 1.811865152D-09
-2.086958125D-13 9.703246380D-18 2.758362737D+04-7.873490263D+00
AL2 Gurvich,1996a pt1 p118 pt2 p95.
2 tpis96 AL 2.00 0.00 0.00 0.00 0.00 0 53.9630760 501301.722
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10139.122
-5.281509650D+03-1.727374523D+01 4.604077010D+00-2.616467770D-04 6.302319970D-07
-3.290938590D-10 8.888365140D-14 5.900706390D+04 3.060188921D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10139.122
-2.320724102D+06 9.218707890D+03-9.446951870D+00 9.999920010D-03-3.154798085D-06
4.361544810D-10-2.241157240D-14 2.904589544D+03 9.960320745D+01
AL2Br6 Gurvich,1996a pt1 p190 pt2 p152.
2 tpis96 AL 2.00BR 6.00 0.00 0.00 0.00 0 533.3870760 -942422.811
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 38217.189
6.483319700D+04-1.947687811D+03 2.886989822D+01-1.365825785D-02 1.557883731D-05
-9.486942000D-09 2.385519396D-12 -1.101526833D+05-1.025934782D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 38217.189
-1.731829490D+05-4.342299780D+01 2.203414210D+01-1.421187503D-05 3.238631340D-09
-3.803879760D-13 1.796525455D-17 -1.202338355D+05-6.201054950D+01
AL2C2 Gurvich,1996a pt1 p206 pt2 p167.
2 tpis96 AL 2.00C 2.00 0.00 0.00 0.00 0 77.9844760 544978.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16165.001
1.110987147D+04-3.502434230D+02 8.598856000D+00 1.832528671D-03 1.035743392D-06
-2.091649890D-09 7.716068700D-13 6.492764190D+04-1.645080239D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16165.001
1.597651967D+05-1.644007203D+03 1.164643675D+01-4.379215430D-04 9.369640110D-08
-1.049615854D-11 4.780468930D-16 7.204889810D+04-3.648164252D+01
AL2CL6 Gurvich,1996a pt1 p175 pt2 p135.
2 tpis96 AL 2.00CL 6.00 0.00 0.00 0.00 0 266.6810760 -1296876.242
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 34147.090
1.340935279D+05-3.001037953D+03 3.143000879D+01-1.700408496D-02 1.786540089D-05
-1.015419943D-08 2.409630451D-12 -1.471830046D+05-1.274445324D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 34147.090
-2.752975554D+05-9.248235970D+01 2.207058224D+01-2.870537915D-05 6.423325690D-09
-7.436585200D-13 3.472064670D-17 -1.629157014D+05-7.091602129D+01
AL2F6 Gurvich,1996a pt1 p160 pt2 p122.
2 tpis96 AL 2.00F 6.00 0.00 0.00 0.00 0 167.9534952 -2632491.231
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26064.089
1.915061289D+05-3.168240250D+03 2.245374802D+01 1.271532036D-02-2.488697302D-05
1.955252096D-08-5.712084890D-12 -3.049962550D+05-9.396473101D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26064.089
-5.852982610D+05-5.450571990D+02 2.240686320D+01-1.627323704D-04 3.595225040D-08
-4.121201440D-12 1.909095384D-16 -3.219683910D+05-8.589867941D+01
AL2I6 Gurvich,1996a pt1 p196 pt2 p157.
2 tpis96 AL 2.00I 6.00 0.00 0.00 0.00 0 815.3898960 -487747.035
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 40920.966
2.587571514D+04-1.280719742D+03 2.677715820D+01-9.913018470D-03 1.168760413D-05
-7.303918530D-09 1.874532749D-12 -5.891105550D+04-8.330209321D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 40920.966
-1.210112399D+05-2.467542774D+01 2.201992650D+01-8.462022590D-06 1.957831901D-09
-2.326573151D-13 1.108910373D-17 -6.548523750D+04-5.528536481D+01
AL2O Gurvich,1996a pt1 p129 pt2 p101.
2 tpis96 AL 2.00O 1.00 0.00 0.00 0.00 0 69.9624760 -148611.286
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12776.514
7.776530700D+03-1.294235361D+02 4.912509520D+00 8.604223450D-03-1.217703648D-05
8.314634870D-09-2.237722201D-12 -1.886512879D+04-2.806368311D-02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12776.514
-1.171074351D+05-1.783009166D+02 7.633215360D+00-5.335931770D-05 1.180702791D-08
-1.355444579D-12 6.287323890D-17 -1.947580149D+04-1.415764167D+01
AL2O+ Chase,1998 p151 12/79.
2 g 1/01 AL 2.00O 1.00E -1.00 0.00 0.00 0 69.9619274 648970.248
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12981.148
6.828925720D+04-9.098504170D+02 8.896563010D+00-7.772554380D-04-4.034655620D-07
6.977315050D-10-2.417262484D-13 8.085007550D+04-2.176216731D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12981.148
-1.102225105D+05-1.214571732D+02 7.591595950D+00-3.694539160D-05 8.218520320D-09
-9.473649720D-13 4.408621350D-17 7.614943580D+04-1.282233856D+01
AL2O2 Gurvich,1996a pt1 p131 pt2 p102.
2 tpis96 AL 2.00O 2.00 0.00 0.00 0.00 0 85.9618760 -403095.587
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15842.613
-1.940560042D+04 2.508489836D+02 3.621403790D+00 1.951385302D-02-2.560329071D-05
1.662721576D-08-4.312396200D-12 -5.172697280D+04 9.923995945D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15842.613
-1.940611656D+05-4.609752430D+02 1.084375637D+01-1.376042893D-04 3.044733119D-08
-3.496193920D-12 1.622305079D-16 -4.963055780D+04-2.946538090D+01
AL2O2+ Chase,1998 p153 12/79.
2 g 2/01 AL 2.00O 2.00E -1.00 0.00 0.00 0 85.9613274 557438.835
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14975.135
8.292034990D+04-1.757427015D+03 1.525328567D+01-8.983131330D-03 8.953954500D-06
-4.840586200D-09 1.096696856D-12 7.311677140D+04-5.517092550D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14975.135
-1.652005184D+05-6.021606970D+01 1.004626917D+01-1.892194088D-05 4.253301200D-09
-4.942390420D-13 2.314507373D-17 6.386219000D+04-2.345753361D+01
AL2O3 Gurvich,1996a pt1 p137 pt2 p105.
2 tpis96 AL 2.00O 3.00 0.00 0.00 0.00 0 101.9612760 -546890.530
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19598.070
-7.443374320D+03 8.829004210D+01 5.264662640D+00 2.507678848D-02-3.434541650D-05
2.302516980D-08-6.122529280D-12 -6.872685950D+04 2.202324298D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19598.070
-2.777784969D+05-4.917465930D+02 1.386703888D+01-1.469381940D-04 3.250406490D-08
-3.730867350D-12 1.730444284D-16 -6.790757850D+04-4.375559873D+01
AL2S Gurvich,1996a pt1 p199 pt2 p160.
2 tpis96 AL 2.00S 1.00 0.00 0.00 0.00 0 86.0280760 220679.131
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14003.931
4.094624370D+04-7.797172470D+02 9.814423100D+00-3.940339820D-03 3.912465430D-06
-2.105891677D-09 4.746001080D-13 2.833963305D+04-2.465067552D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14003.931
-7.043437370D+04-2.676376869D+01 7.520233820D+00-8.166123060D-06 1.816026040D-09
-2.091989298D-13 9.727537700D-18 2.422718377D+04-1.066580982D+01
AL2S2 Gurvich,1996a pt1 p200 pt2 p161.
2 tpis96 AL 2.00S 2.00 0.00 0.00 0.00 0 118.0930760 135287.321
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18099.521
6.614587320D+04-1.111319537D+03 1.257007304D+01-1.456053256D-03-5.851627110D-07
1.390055053D-09-5.496468200D-13 1.914456895D+04-3.600277092D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18099.521
-1.377806456D+05-7.705032500D+01 1.055723566D+01-2.277554487D-05 5.007682850D-09
-5.715862120D-13 2.637999240D-17 1.313336091D+04-2.256851594D+01
Ar Ref-Elm. Moore,1971. Gordon,1999.
3 g 3/98 AR 1.00 0.00 0.00 0.00 0.00 0 39.9480000 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.453750000D+02 4.379674910D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
2.010538475D+01-5.992661070D-02 2.500069401D+00-3.992141160D-08 1.205272140D-11
-1.819015576D-15 1.078576636D-19 -7.449939610D+02 4.379180110D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-9.951265080D+08 6.458887260D+05-1.675894697D+02 2.319933363D-02-1.721080911D-06
6.531938460D-11-9.740147729D-16 -5.078300340D+06 1.465298484D+03
Ar+ Moore,1971. IP:Moore,1970a. Gordon,1999.
3 g 1/99 AR 1.00E -1.00 0.00 0.00 0.00 0 39.9474514 1526778.407
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6205.988
-5.731209170D+04 7.930791470D+02-1.717121217D+00 1.044184018D-02-1.180207501D-05
6.528134780D-09-1.447558130D-12 1.790572230D+05 2.949150950D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6205.988
-3.835965400D+05 8.162019700D+02 2.301342628D+00-4.952983770D-06 1.205108477D-08
-2.185050286D-12 1.265493898D-16 1.771811455D+05 7.947507480D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6205.988
1.006884827D+07-6.624361280D+03 4.446908200D+00-3.017567664D-04 2.612882069D-08
-1.201637769D-12 2.299206903D-17 2.349504137D+05-1.032262257D+01
B Martin,J.M.L.,1998. Odintzova,1979. Gordon,1999.
3 g 9/98 B 1.00 0.00 0.00 0.00 0.00 0 10.8110000 575598.760
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6316.060
1.182394638D+02-7.009916910D-02 2.500236159D+00-4.584213700D-07 5.123185830D-10
-3.057217674D-13 7.533815325D-17 6.848359080D+04 4.209501920D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6316.060
-1.072659610D+05 3.225307160D+02 2.126407232D+00 2.106579339D-04-5.937129160D-08
7.377427990D-12-2.282443381D-16 6.643413100D+04 6.877069670D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6316.060
-4.150001310D+08 2.329576796D+05-4.720913710D+01 4.877655960D-03-2.069413791D-07
3.233519090D-12-1.824076527D-18 -1.802904743D+06 4.439617640D+02
B+ Moore,1971. IP:Moore,1970a. Gordon,1999.
3 g 9/98 B 1.00E -1.00 0.00 0.00 0.00 0 10.8104514 1382315.528
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
7.849791190D-02-8.947480950D-04 2.500004085D+00-9.577271230D-09 1.218136411D-11
-7.986752520D-15 2.113769829D-18 1.655080260D+05 2.419053631D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-8.911548030D+03 4.587790090D+00 2.531500086D+00-4.903949100D-05 2.853326582D-08
-7.382175910D-12 7.120721560D-16 1.654526303D+05 2.238669780D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-7.977322890D+08 4.734044940D+05-1.055286044D+02 1.170310076D-02-6.075531110D-07
1.484174716D-11-1.328323987D-16 -3.609116960D+06 9.497399750D+02
B- Hotop,1985. Gordon,1999.
3 g 9/98 B 1.00E 1.00 0.00 0.00 0.00 0 10.8115486 542631.498
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6272.598
2.201568105D+01-4.740468880D-03 2.500014238D+00-2.497056599D-08 2.556360708D-11
-1.415274780D-14 3.271770710D-18 6.451791880D+04 4.616367290D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6272.598
2.118018248D+01 2.070697496D-04 2.499999729D+00 1.456693631D-10-3.888571760D-14
5.090598630D-18-2.601566168D-22 6.451789140D+04 4.616455830D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6272.598
-1.311386485D+02 9.028908800D-02 2.499978572D+00 2.606391052D-09-1.716068068D-13
5.810865540D-18-7.925029090D-23 6.451717400D+04 4.616640300D+00
BBr Gurvich,1996a pt1 p91 pt2 p70.
2 g 9/98 B 1.00BR 1.00 0.00 0.00 0.00 0 90.7150000 240952.358
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8997.058
3.796093500D+04-4.976096020D+02 5.267008200D+00-3.742840190D-05-1.131544370D-06
1.261945702D-09-4.288811880D-13 3.038125367D+04-4.353407330D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8997.058
2.536858027D+05-6.405909500D+02 4.666823470D+00 4.175486390D-04-2.963714868D-07
7.519119540D-11-4.835368320D-15 3.189084340D+04-8.255870910D-01
BBr2 Gurvich,1996a pt1 p92 pt2 p71.
2 g 9/98 B 1.00BR 2.00 0.00 0.00 0.00 0 170.6190000 97828.617
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12200.717
6.516550710D+04-9.029590760D+02 8.063817800D+00 1.129849010D-03-4.195482390D-06
3.965658770D-09-1.283029835D-12 1.470466408D+04-1.336453164D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12200.717
-4.191633370D+05 4.157688470D+02 7.148169830D+00-5.689590750D-04 3.195441770D-07
-5.553176990D-11 3.191136760D-15 6.118982050D+03-5.502759620D+00
BBr3 Gurvich,1996a pt1 p93 pt2 p72.
2 tpis96 B 1.00BR 3.00 0.00 0.00 0.00 0 250.5230000 -205300.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15702.797
3.968073690D+04-6.331087160D+02 8.054551570D+00 9.777571300D-03-1.614866025D-05
1.216119883D-08-3.516539610D-12 -2.366723308D+04-1.106099390D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15702.797
-1.901046795D+05-1.503627687D+02 1.010999896D+01-4.323095110D-05 9.409696190D-09
-1.065218470D-12 4.883048770D-17 -2.742553062D+04-1.997496003D+01
BC Gurvich,1996a pt1 p108 pt2 p86.
2 g 9/98 B 1.00C 1.00 0.00 0.00 0.00 0 22.8217000 838161.905
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8735.105
-3.915758000D+04 7.284538060D+02-1.552743361D+00 1.552898673D-02-1.976857863D-05
1.272066405D-08-3.229982780D-12 9.644913680D+04 3.248204466D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8735.105
-2.346280674D+06 6.450751300D+03-2.619532384D+00 3.339160500D-03-4.508022140D-07
1.351919576D-11 8.265104270D-16 5.786685070D+04 5.037884876D+01
BC2 Gurvich,1996a pt1 p109 pt2 p87.
2 g 9/98 B 1.00C 2.00 0.00 0.00 0.00 0 34.8324000 801258.725
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11687.825
-2.987422175D+04 3.643126580D+02 2.963469415D+00 6.561750150D-03-3.539767240D-06
1.927356029D-10 3.118724866D-13 9.304835730D+04 1.083424193D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11687.825
1.525485889D+06-5.987862380D+03 1.408384855D+01-3.747499800D-03 1.081927223D-06
-1.378744645D-10 6.473822000D-15 1.311204013D+05-6.337215498D+01
BCL Gurvich,1996a pt1 p73 pt2 p51.
2 g 9/98 B 1.00CL 1.00 0.00 0.00 0.00 0 46.2640000 183173.437
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8861.337
2.202458989D+04-1.700511155D+02 3.066075869D+00 5.595070180D-03-8.460870410D-06
6.084733410D-09-1.702889433D-12 2.197402537D+04 6.388978917D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8861.337
-7.421262540D+04 2.638090127D+02 3.600227650D+00 1.018866266D-03-4.666184120D-07
9.849002030D-11-6.468818170D-15 1.912726480D+04 5.235317877D+00
BCL+ Chase,1998 p198.
2 j 6/68 B 1.00CL 1.00E -1.00 0.00 0.00 0 46.2634514 1234280.000
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8860.318
6.514405420D+04-6.845541010D+02 5.527276820D+00-4.458357450D-04-4.557728840D-07
6.370858160D-10-2.134366120D-13 1.509424507D+05-6.918246393D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8860.318
-2.169423542D+05 3.589975160D+02 4.035208370D+00 3.274452430D-04-8.634578450D-08
1.207061044D-11-5.262253270D-16 1.445477224D+05 3.488222017D+00
BCLOH Gurvich,1996a pt1 p83 pt2 p61.
2 g 9/98 B 1.00CL 1.00O 1.00H 1.00 0.00 0 63.2713400 -234005.381
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12431.519
-2.898427288D+04 6.894046580D+02-2.288138069D+00 3.349428620D-02-4.725225980D-05
3.326981310D-08-9.224238860D-12 -3.261981100D+04 3.976886651D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12431.519
7.027738440D+05-2.857391274D+03 1.091175840D+01-8.107709340D-05-2.124440337D-08
5.409912440D-12-3.464153840D-16 -1.307221888D+04-3.585168799D+01
BCL(OH)2 Gurvich,1996a pt1 p85 pt2 p62.
2 tpis96 B 1.00CL 1.00O 2.00H 2.00 0.00 0 80.2786800 -805387.658
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13565.103
8.072623010D+04-8.594619820D+02 2.705039614D+00 3.878799620D-02-5.721734350D-05
4.145850330D-08-1.168536754D-11 -9.379910740D+04 7.134982695D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13565.103
1.423878191D+06-5.849704070D+03 1.792165219D+01-2.009909087D-04-3.393435780D-08
9.838560760D-12-6.472678820D-16 -6.474261760D+04-8.100399519D+01
BCL2 Gurvich,1996a pt1 p74 pt2 p52.
2 tpis96 B 1.00CL 2.00 0.00 0.00 0.00 0 81.7170000 -60881.490
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11513.621
3.598879420D+04-3.602826500D+02 4.157685450D+00 1.152877450D-02-1.816567395D-05
1.341714418D-08-3.840822860D-12 -6.765107050D+03 5.182311874D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11513.621
3.501403130D+05-1.662203590D+03 8.839534720D+00-9.772544110D-04 2.467356248D-07
-2.501151018D-11 8.722954560D-16 5.682909440D+02-2.148348344D+01
BCL2+ Chase,1998 p203 12/79.
2 g 1/01 B 1.00CL 2.00E -1.00 0.00 0.00 0 81.7164514 672315.402
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12848.802
8.065956240D+04-1.149602601D+03 1.016765297D+01-3.586494910D-03 2.837145924D-06
-1.225075731D-09 2.224794198D-13 8.478617410D+04-2.937256994D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12848.802
3.029293331D+05-1.305533159D+03 8.920390060D+00-7.289919640D-04 1.727833266D-07
-1.523567337D-11 4.226911440D-16 8.653415770D+04-2.267466616D+01
BCL2OH Gurvich,1996a pt1 p86 pt2 p63.
2 tpis96 B 1.00CL 2.00O 1.00H 1.00 0.00 0 98.7243400 -604917.444
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14051.769
2.099755170D+04-2.470699169D+02 2.578761742D+00 3.120362393D-02-4.545314050D-05
3.242011770D-08-9.039822660D-12 -7.309028620D+04 1.273658611D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14051.769
5.878113790D+05-2.982969317D+03 1.400662004D+01-1.194189832D-04-1.269775742D-08
4.422892190D-12-3.004089365D-16 -5.824168070D+04-5.150858228D+01
BCL3 Gurvich,1996a pt1 p76 pt2 p53.
2 tpis96 B 1.00CL 3.00 0.00 0.00 0.00 0 117.1700000 -404500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13970.666
2.392970339D+04-4.140378860D+02 5.488035260D+00 1.648395682D-02-2.456196216D-05
1.743876340D-08-4.845222140D-12 -4.839469840D+04-1.675355198D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13970.666
-2.417408819D+05-2.921539509D+02 1.021668480D+01-8.623637100D-05 1.897792088D-08
-2.168726841D-12 1.002154013D-16 -5.074834440D+04-2.546862377D+01
BF Gurvich,1996a pt1 p56 pt2 p36.
2 g10/97 B 1.00F 1.00 0.00 0.00 0.00 0 29.8094032 -106931.884
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8694.670
-5.238954730D+04 8.118476640D+02-1.141614903D+00 1.161249417D-02-1.175212617D-05
6.019232780D-09-1.238293129D-12 -1.774541998D+04 3.005086287D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8694.670
-3.746389780D+05 5.604493910D+02 3.609186110D+00 6.187216930D-04-1.778938770D-07
2.426601527D-11-9.394651580D-16 -1.819179292D+04 3.716609290D+00
BFCL Gurvich,1996a pt1 p86 pt2 p64.
2 tpis96 B 1.00F 1.00CL 1.00 0.00 0.00 0 65.2624032 -279184.068
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11033.040
-2.363512735D+04 4.383168980D+02 3.918095720D-01 1.719990692D-02-2.139592424D-05
1.337389186D-08-3.371164690D-12 -3.687166590D+04 2.668102752D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11033.040
-1.086309561D+05-5.233438480D+02 7.297504740D+00-3.054410701D-05-3.154598306D-08
1.052290533D-11-7.615432260D-16 -3.305891210D+04-1.186586595D+01
BFCL2 Gurvich,1996a pt1 p88 pt2 p66.
2 tpis96 B 1.00F 1.00CL 2.00 0.00 0.00 0 100.7154032 -643000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13230.913
4.402551240D+03-1.571398929D+02 4.016322310D+00 1.743396078D-02-2.252789060D-05
1.433673443D-08-3.648755580D-12 -7.822452620D+04 6.886094746D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13230.913
-2.233613309D+05-6.440602960D+02 1.047861848D+01-1.911892367D-04 4.224887790D-08
-4.847266920D-12 2.247974725D-16 -7.740626480D+04-2.814630564D+01
BFOH Gurvich,1996a pt1 p71 pt2 p48.
2 g 9/98 B 1.00F 1.00O 1.00H 1.00 0.00 0 46.8167432 -451631.678
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11973.122
-7.563953670D+04 1.354838128D+03-5.648210110D+00 3.870274660D-02-5.037659180D-05
3.339592640D-08-8.847822950D-12 -6.194446110D+04 5.800362820D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11973.122
7.251318090D+05-3.215620850D+03 1.117909777D+01-1.883881929D-04 2.579708080D-09
2.665158100D-12-2.186647438D-16 -3.716808080D+04-3.978463490D+01
BF(OH)2 Gurvich,1996a pt1 p71 pt2 p49.
2 tpis96 B 1.00F 1.00O 2.00H 2.00 0.00 0 63.8240832 -1049889.539
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12885.220
1.381800676D+04 2.529637004D+02-3.844552040D+00 5.255140850D-02-7.193117730D-05
4.948309910D-08-1.345922496D-11 -1.283123258D+05 4.293659370D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12885.220
1.422037640D+06-6.257297570D+03 1.822460686D+01-3.221396450D-04-7.126739900D-09
6.758699770D-12-5.042554540D-16 -9.186254190D+04-8.527895050D+01
BF2 Gurvich,1996a pt1 p58 pt2 p37.
2 tpis96 B 1.00F 2.00 0.00 0.00 0.00 0 48.8078064 -499426.904
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10612.202
-6.787651760D+04 1.085903536D+03-3.023320961D+00 2.326503687D-02-2.641444147D-05
1.515620683D-08-3.518559180D-12 -6.640918250D+04 4.431968310D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10612.202
-1.153091296D+05-8.109800120D+02 7.602709230D+00-2.409209242D-04 5.328471860D-08
-6.118797940D-12 2.839984178D-16 -5.796222170D+04-1.655644047D+01
BF2+ Chase,1998 p211.
2 j12/70 B 1.00F 2.00E -1.00 0.00 0.00 0 48.8072578 322586.400
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10612.483
-2.938356477D+04 2.955698598D+02 1.894274526D+00 1.280508319D-02-1.388757254D-05
7.624366750D-09-1.706339371D-12 3.598992440D+04 1.384803311D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10612.483
-1.769409966D+05-5.343685180D+02 7.728052910D+00-1.958622052D-06-2.419680893D-08
5.732533810D-12-3.216354230D-16 3.908745050D+04-1.936560315D+01
BF2- Gurvich,1996a pt1 p60 pt2 p38.
2 tpis96 B 1.00F 2.00E 1.00 0.00 0.00 0 48.8083550 -733802.963
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10433.571
2.109765318D+04 1.439564600D+02 2.604646296D-01 1.817373751D-02-2.241565287D-05
1.369712886D-08-3.355952680D-12 -8.971801780D+04 2.351692604D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10433.571
-1.709920627D+05-6.156219790D+02 7.458871370D+00-1.836703248D-04 4.064363960D-08
-4.667700950D-12 2.166264840D-16 -8.741404530D+04-1.620604664D+01
BF2CL Gurvich,1996a pt1 p87 pt2 p65.
2 tpis96 B 1.00F 2.00CL 1.00 0.00 0.00 0 84.2608064 -888000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12323.693
4.500101250D+03-1.196284966D+02 3.198635140D+00 1.743426933D-02-1.994070287D-05
1.125136430D-08-2.544020371D-12 -1.076779851D+05 1.008195015D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12323.693
-2.066817398D+05-1.024447292D+03 1.075843981D+01-3.023235319D-04 6.672521470D-08
-7.649941900D-12 3.546224500D-16 -1.046936725D+05-3.229995036D+01
BF2OH Gurvich,1996a pt1 p72 pt2 p50.
2 tpis96 B 1.00F 2.00O 1.00H 1.00 0.00 0 65.8151464 -1092217.322
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12395.887
-7.522521650D+03 4.367121690D+02-3.128973474D+00 4.323957680D-02-5.785494040D-05
3.885858130D-08-1.038574523D-11 -1.344259458D+05 4.139170550D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12395.887
5.760759250D+05-3.611900190D+03 1.446897640D+01-3.028293733D-04 2.764337508D-08
-1.905493170D-13-8.694971940D-17 -1.133589041D+05-5.896981510D+01
BF3 Gurvich,1996a pt1 p62 pt2 p39.
2 tpis96 B 1.00F 3.00 0.00 0.00 0.00 0 67.8062096 -1136000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11651.226
3.465584000D+03 2.133198651D+01 1.641245191D+00 1.993755064D-02-2.150119930D-05
1.145669081D-08-2.442285789D-12 -1.379455591D+05 1.625533544D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11651.226
-1.819767014D+05-1.405347931D+03 1.103412258D+01-4.104591050D-04 9.031277570D-08
-1.033057360D-11 4.780551830D-16 -1.323136863D+05-3.738386080D+01
BF4- Gurvich,1996a pt1 p63 pt2 p40.
2 tpis96 B 1.00F 4.00E 1.00 0.00 0.00 0 86.8051614 -1761265.998
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13795.643
2.068485200D+05-2.463190805D+03 1.206414196D+01 1.102766923D-02-1.751720760D-05
1.201346256D-08-3.150588626D-12 -2.010569206D+05-4.610826940D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13795.643
-4.373241710D+05-7.759289410D+02 1.358222575D+01-2.341024178D-04 5.196915940D-08
-5.982245780D-12 2.781163206D-16 -2.127251877D+05-4.953369700D+01
BH Bauschlicher,1990. Gurvich,1996a pt1 p28 pt2 p19.
2 g12/99 B 1.00H 1.00 0.00 0.00 0.00 0 11.8189400 448727.204
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8639.104
2.063082550D+04-3.682502520D+02 6.071337870D+00-8.728321070D-03 1.458566459D-05
-1.036840401D-08 2.779462579D-12 5.460459920D+04-1.300392582D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8639.104
-1.098531663D+06-1.745890126D+02 8.442426810D+00-5.440196670D-03 2.718307052D-06
-4.839812210D-10 2.868523222D-14 5.016735670D+04-2.971030686D+01
BHCL Gurvich,1996a pt1 p81 pt2 p58.
2 g 9/98 B 1.00H 1.00CL 1.00 0.00 0.00 0 47.2719400 141418.307
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10304.807
4.763274910D+04-4.420016520D+02 3.975645880D+00 8.541698760D-03-1.377785182D-05
1.131521587D-08-3.569659180D-12 1.822278428D+04 3.028452399D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10304.807
3.499991720D+05-2.238404757D+03 8.711106050D+00-1.088882906D-03 4.189301090D-07
-6.568711260D-11 3.620067600D-15 2.841240364D+04-2.589566225D+01
BHCL2 Gurvich,1996a pt1 p82 pt2 p60.
2 tpis96 B 1.00H 1.00CL 2.00 0.00 0.00 0 82.7249400 -251883.529
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11745.632
4.419914810D+04-2.384739577D+02 1.356682235D+00 2.517866897D-02-3.632910400D-05
2.644335581D-08-7.625044110D-12 -3.003877914D+04 1.787024616D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11745.632
4.110996060D+05-2.858027441D+03 1.179547506D+01-6.322817970D-04 1.269551549D-07
-1.352862344D-11 5.921653510D-16 -1.617288760D+04-4.217900972D+01
BHF Gurvich,1996a pt1 p68 pt2 p45.
2 g 9/98 B 1.00H 1.00F 1.00 0.00 0.00 0 30.8173432 -76012.343
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10042.057
-4.908362260D+04 9.610760210D+02-2.919850316D+00 2.149156633D-02-2.595677863D-05
1.693492714D-08-4.553648840D-12 -1.466925195D+04 4.160709310D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10042.057
1.184821300D+06-4.677435180D+03 1.067328148D+01-1.606366598D-03 3.704534700D-07
-3.797882750D-11 1.432441145D-15 1.802640937D+04-4.285931170D+01
BHFCL Gurvich,1996a pt1 p90 pt2 p69.
2 tpis96 B 1.00H 1.00F 1.00CL 1.00 0.00 0 66.2703432 -483036.620
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11414.539
5.761169720D+02 3.042156250D+02-9.808900360D-01 2.803843648D-02-3.676734020D-05
2.499824138D-08-6.873421640D-12 -6.050207390D+04 3.132842092D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11414.539
4.390778920D+05-3.137181709D+03 1.200286161D+01-7.153669340D-04 1.453878608D-07
-1.565197070D-11 6.910075060D-16 -4.232368340D+04-4.466542881D+01
BHF2 Gurvich,1996a pt1 p69 pt2 p47.
2 tpis96 B 1.00H 1.00F 2.00 0.00 0.00 0 49.8157464 -739613.811
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10659.347
-8.353540280D+04 1.616659766D+03-8.161405670D+00 4.153786790D-02-4.921063280D-05
3.054165306D-08-7.786813980D-12 -9.748065460D+04 7.038630750D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10659.347
4.660876960D+05-3.728100490D+03 1.244152658D+01-8.906843190D-04 1.841732568D-07
-2.010774349D-11 8.979196590D-16 -6.978142930D+04-5.103218040D+01
BH2 Jacox,1994. Kolbuszewski,1996. Gurvich,1996a p32.
2 g 2/00 B 1.00H 2.00 0.00 0.00 0.00 0 12.8268800 328909.059
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10023.559
2.812557296D+04-3.000083489D+02 4.824221000D+00-2.186429819D-04 1.485457398D-06
3.893739680D-10-6.331629390D-13 3.991988420D+04-5.042682850D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10023.559
1.360117365D+06-4.917704490D+03 9.758971030D+00-7.415870640D-04 1.269760019D-07
-1.187742442D-11 4.682552510D-16 6.890292660D+04-4.190490120D+01
BH2CL Gurvich,1996a pt1 p82 pt2 p59.
2 tpis96 B 1.00H 2.00CL 1.00 0.00 0.00 0 48.2798800 -80845.754
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10426.902
1.646638117D+04 1.277320942D+02 1.300268921D-01 1.938143193D-02-2.316389616D-05
1.607896164D-08-4.668337650D-12 -1.112112215D+04 2.308500112D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10426.902
1.427215437D+06-6.265564340D+03 1.382183005D+01-1.313843556D-03 2.587131606D-07
-2.713845270D-11 1.172827257D-15 2.639387516D+04-6.399725308D+01
BH2F Gurvich,1996a pt1 p69 pt2 p46.
2 tpis96 B 1.00H 2.00F 1.00 0.00 0.00 0 31.8252832 -323956.732
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10137.922
-8.837920440D+04 1.705285929D+03-8.061246130D+00 3.643188680D-02-4.152482550D-05
2.620135756D-08-6.930886410D-12 -4.787273410D+04 6.862087670D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10137.922
1.435082111D+06-6.625320170D+03 1.409165008D+01-1.422469060D-03 2.828724718D-07
-2.992498948D-11 1.302618926D-15 -7.937192670D+02-6.801356400D+01
BH3 Allendorf,1997. Jacox,1998 p212. Martin,J.M.L.,1992.
2 g 1/00 B 1.00H 3.00 0.00 0.00 0.00 0 13.8348200 104746.599
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10059.699
-6.619635070D+04 1.262658391D+03-4.654355900D+00 2.461795131D-02-2.501537437D-05
1.562330756D-08-4.323949480D-12 5.667587980D+03 4.666504620D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10059.699
1.855778950D+06-8.002492370D+03 1.505692199D+01-1.790456689D-03 3.612511100D-07
-3.866035910D-11 1.698508879D-15 5.967537070D+04-7.994046160D+01
BH3NH3 Gurvich,1996a pt1 p106 pt2 p84.
2 tpis96 B 1.00H 6.00N 1.00 0.00 0.00 0 30.8653400 -115000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12681.530
-1.811063598D+05 3.010341543D+03-1.524271135D+01 6.215637750D-02-5.959881850D-05
3.267429360D-08-7.751243090D-12 -2.934278877D+04 1.087399608D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12681.530
4.354925960D+06-1.824235232D+04 3.162999830D+01-3.208243610D-03 5.885075450D-07
-5.808535530D-11 2.382578600D-15 9.438118030D+04-1.897865799D+02
BH4 Radical. Saxon,1993. Yu,1998.
2 g 5/00 B 1.00H 4.00 0.00 0.00 0.00 0 14.8427600 255210.477
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10770.877
2.734274578D+04-8.473619380D+01 1.551871695D+00 1.439765491D-02-6.111152360D-06
-1.324417559D-10 5.133008150D-13 3.022048074D+04 1.250358328D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10770.877
1.354714146D+06-7.870762750D+03 1.826170610D+01-1.948275329D-03 4.072706890D-07
-4.482710900D-11 2.014115885D-15 7.470249490D+04-9.686086890D+01
BH5 Schreiner,1994.
2 g 8/00 B 1.00H 5.00 0.00 0.00 0.00 0 15.8507000 92933.658
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12572.458
-5.603075360D+04 1.457641959D+03-8.245037630D+00 4.817478230D-02-5.535104700D-05
3.578299590D-08-9.717757500D-12 3.424238930D+03 6.695881520D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12572.458
2.472199159D+06-1.110339842D+04 2.243395706D+01-2.121632568D-03 4.038994240D-07
-4.121910490D-11 1.741706383D-15 7.561744630D+04-1.243306259D+02
BI Gurvich,1996a pt1 p94 pt2 p73.
2 g 9/98 B 1.00I 1.00 0.00 0.00 0.00 0 137.7154700 325987.502
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9142.202
3.517449530D+04-5.445819300D+02 6.027511010D+00-2.387237926D-03 2.244796277D-06
-1.110001347D-09 2.280204403D-13 4.071910130D+04-7.288049840D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9142.202
2.132872626D+06-6.283684960D+03 1.123964343D+01-3.258856750D-03 7.064282150D-07
-4.230068930D-11-4.208078470D-16 7.797634810D+04-4.664042610D+01
BI2 Gurvich,1996a pt1 p95 pt2 p74.
2 g 9/98 B 1.00I 2.00 0.00 0.00 0.00 0 264.6199400 238096.324
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12688.424
6.640975900D+04-1.044411994D+03 9.734197240D+00-3.952557540D-03 3.165567780D-06
-1.273764644D-09 1.879968132D-13 3.205750890D+04-2.012407058D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12688.424
-3.924022230D+05 4.422902350D+02 7.129623580D+00-5.619634060D-04 3.180760520D-07
-5.537079720D-11 3.183959700D-15 2.291972638D+04-3.201793240D+00
BI3 Gurvich,1996a pt1 p96 pt2 p75.
2 tpis96 B 1.00I 3.00 0.00 0.00 0.00 0 391.5244100 21400.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16933.072
6.243114890D+04-1.002408628D+03 1.106650075D+01 1.609588058D-03-5.147250250D-06
4.732514020D-09-1.512999796D-12 5.160348150D+03-2.420687643D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16933.072
-1.506176506D+05-8.167210610D+01 1.005937867D+01-2.319396215D-05 5.019966730D-09
-5.654349630D-13 2.580651348D-17 -4.261687910D+02-1.617962779D+01
BN Gurvich,1996a pt1 p104 pt2 p83.
2 g 9/98 B 1.00N 1.00 0.00 0.00 0.00 0 24.8177000 574726.408
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8961.108
-4.569707580D+04 6.704286070D+02 3.615089080D-02 7.339487510D-03-4.969033490D-06
1.229031380D-09 6.340281520D-14 6.485465080D+04 2.539869896D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8961.108
-2.276932705D+05-1.025649298D+02 4.414586810D+00 2.561670989D-04-1.612994942D-08
-6.526052930D-13 5.749466120D-17 6.784465130D+04-6.778568656D-01
BO Gurvich,1996a pt1 p10 pt2 p8.
3 g 9/98 B 1.00O 1.00 0.00 0.00 0.00 0 26.8104000 20406.404
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8674.104
-1.166216822D+04 9.217579390D+01 3.655498490D+00-3.118542920D-03 9.008329830D-06
-8.017789990D-09 2.472952292D-12 8.738284780D+02 4.482847390D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8674.104
1.788600589D+04-6.309019630D+02 4.574528400D+00 1.988001643D-04-9.702963480D-08
1.870854291D-11-1.030218131D-15 4.841311090D+03-3.398890580D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8674.104
-1.592699514D+08 1.210955629D+05-3.136823502D+01 5.110037760D-03-3.461020740D-07
1.148046833D-11-1.504899225D-16 -9.345065760D+05 3.026123907D+02
BO- Gurvich,1996a pt1 p13 pt2 p10.
2 g 9/98 B 1.00O 1.00E 1.00 0.00 0.00 0 26.8109486 -277791.076
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8674.024
-8.242023210D+04 9.203636900D+02-2.302659981D-01 6.229904120D-03-3.157624391D-06
1.184578107D-10 2.819228693D-13 -3.911141220D+04 2.599226838D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8674.024
2.122804369D+05-1.262124688D+03 5.383167310D+00-3.181049100D-04 7.288988250D-08
-8.141708920D-12 3.715364390D-16 -2.706892261D+04-9.773753670D+00
BOCL Gurvich,1996a pt1 p79 pt2 p55.
2 tpis96 B 1.00O 1.00CL 1.00 0.00 0.00 0 62.2634000 -318536.695
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10607.913
7.052380640D+04-1.315301429D+03 1.130087727D+01-1.207112050D-02 1.880516131D-05
-1.373823975D-08 3.854890160D-12 -3.355399100D+04-3.698462517D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10607.913
1.557148487D+05-1.446254968D+03 8.509448050D+00-3.859007380D-04 8.262268820D-08
-9.261027460D-12 4.219998010D-16 -3.203589040D+04-2.372713292D+01
BOCL2 Gurvich,1996a pt1 p79 pt2 p56.
2 tpis96 B 1.00O 1.00CL 2.00 0.00 0.00 0 97.7164000 -361565.512
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13169.650
7.322667360D+03-2.027726965D+02 4.161924090D+00 1.733309456D-02-2.263908718D-05
1.452275190D-08-3.719593120D-12 -4.414441880D+04 6.520424110D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13169.650
-2.297527041D+05-6.194567930D+02 1.046075518D+01-1.841620739D-04 4.071215430D-08
-4.672246550D-12 2.167237536D-16 -4.371538420D+04-2.743570215D+01
BOF Gurvich,1996a pt1 p65 pt2 p42.
2 tpis96 B 1.00O 1.00F 1.00 0.00 0.00 0 45.8088032 -592978.311
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9988.295
7.226802650D+04-1.131386630D+03 8.816054520D+00-4.627694570D-03 7.801299580D-06
-5.681205840D-09 1.534732094D-12 -6.711116010D+04-2.547957229D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9988.295
1.937020297D+05-1.739112297D+03 8.695650860D+00-4.518895570D-04 9.591019080D-08
-1.067806769D-11 4.840007660D-16 -6.330152390D+04-2.702458617D+01
BOF2 Gurvich,1996a pt1 p66 pt2 p43.
2 tpis96 B 1.00O 1.00F 2.00 0.00 0.00 0 64.8072064 -832767.700
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11611.458
7.227794130D+03 2.148783624D+01 1.157840301D+00 2.250585296D-02-2.610731536D-05
1.508824929D-08-3.518364850D-12 -1.013995733D+05 2.010127136D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11611.458
-2.205028861D+05-1.254238690D+03 1.092551380D+01-3.680144000D-04 8.107164940D-08
-9.281275060D-12 4.297549300D-16 -9.680447580D+04-3.482853330D+01
BOH Gurvich,1996a pt1 p41 pt2 p24.
2 tpis96 B 1.00O 1.00H 1.00 0.00 0.00 0 27.8183400 -6756.578
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10031.524
-7.521410270D+04 1.391444703D+03-5.630330180D+00 2.966358811D-02-3.830835180D-05
2.550606424D-08-6.795857210D-12 -8.341300280D+03 5.517690040D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10031.524
8.447498570D+05-3.016982887D+03 8.083864700D+00-1.609855388D-04-2.191830959D-09
3.127133119D-12-2.376665451D-16 1.647698495D+04-2.603227947D+01
BO2 Gurvich,1996a pt1 p14 pt2 p11.
2 g10/97 B 1.00O 2.00 0.00 0.00 0.00 0 42.8098000 -309121.947
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10772.157
-4.141090640D+04 7.198854610D+02-1.477629435D+00 2.277415194D-02-2.786326934D-05
1.718462069D-08-4.278991440D-12 -4.177657690D+04 3.258458010D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10772.157
-3.834452340D+04-9.563261140D+02 8.200962780D+00-2.062130802D-04 9.872288990D-09
8.158366760D-12-7.527519660D-16 -3.423564020D+04-2.224772278D+01
BO2- Gurvich,1996a pt1 p16 pt2 p13.
2 tpis96 B 1.00O 2.00E 1.00 0.00 0.00 0 42.8103486 -714493.991
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9597.541
5.324279690D+04-7.326313030D+02 5.902470000D+00 2.437465200D-03-4.878803950D-07
-8.475724760D-10 4.080781180D-13 -8.344293680D+04-1.053931911D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9597.541
1.199226372D+05-1.715766982D+03 8.701038220D+00-4.601242120D-04 9.867011870D-08
-1.107288516D-11 5.050183240D-16 -7.825789690D+04-2.839356505D+01
B(OH)2 Gurvich,1996a pt1 p46 pt2 p28.
2 g 9/98 B 1.00O 2.00H 2.00 0.00 0.00 0 44.8256800 -425243.642
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11971.658
1.491659222D+03 3.648184840D+02-2.906006389D+00 4.136834460D-02-5.782584220D-05
4.069783560D-08-1.126499791D-11 -5.375483660D+04 3.888535180D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11971.658
1.557023406D+06-5.784710760D+03 1.487391235D+01-1.821804765D-04-3.803541640D-08
1.030332746D-11-6.685889830D-16 -1.806810301D+04-6.590268900D+01
BS Gurvich,1996a pt1 p97 pt2 p76.
2 g10/98 B 1.00S 1.00 0.00 0.00 0.00 0 42.8760000 273519.405
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8724.105
-3.839490100D+04 6.989417490D+02-1.213980460D+00 1.396391264D-02-1.689881284D-05
1.038889985D-08-2.582063989D-12 2.865685472D+04 3.154819945D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8724.105
1.358760165D+06-4.364035960D+03 9.034307590D+00-2.114548699D-03 4.189275310D-07
-1.354787322D-11-1.360684605D-15 5.913065450D+04-3.336696868D+01
BS2 Gurvich,1996a pt1 p99 pt2 p77.
2 g 9/98 B 1.00S 2.00 0.00 0.00 0.00 0 74.9410000 63867.460
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13559.560
1.820264374D+04-5.150671890D+02 8.547515000D+00-1.626155268D-03 1.866387194D-06
-1.277165468D-09 3.681980690D-13 8.186839750D+03-1.778384854D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13559.560
5.120402510D+05-1.938581076D+03 9.814873460D+00-1.339731606D-03 3.754301160D-07
-4.400383780D-11 1.887662968D-15 1.736535000D+04-2.757546712D+01
B2 Gurvich,1996a pt1 p8 pt2 p7.
2 g 9/98 B 2.00 0.00 0.00 0.00 0.00 0 21.6220000 857370.506
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8805.106
-1.516418096D+05 2.630168946D+03-1.381358321D+01 5.216225190D-02-6.930494740D-05
4.469410390D-08-1.128496456D-11 8.995251050D+04 9.813118490D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8805.106
1.094594495D+06-2.602735739D+03 6.909456210D+00-6.405949890D-04 1.951732355D-07
-2.555902119D-11 1.053557323D-15 1.187807611D+05-1.949045025D+01
B2C Gurvich,1996a pt1 p110 pt2 p88.
2 g 9/98 B 2.00C 1.00 0.00 0.00 0.00 0 33.6327000 800432.614
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11723.114
-4.166519870D+04 5.797779520D+02 1.411017091D+00 1.174705713D-02-1.066474425D-05
4.717232620D-09-7.970013260D-13 9.196874200D+04 1.769254387D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11723.114
1.159241019D+06-4.567798810D+03 1.228672097D+01-2.500830701D-03 6.409979850D-07
-6.932935770D-11 2.672933741D-15 1.222442137D+05-5.199066186D+01
B2CL4 Gurvich,1996a pt1 p77 pt2 p54.
2 g10/97 B 2.00CL 4.00 0.00 0.00 0.00 0 163.4340000 -490000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21588.132
4.285555130D+04-7.280748810D+02 9.315763670D+00 2.331629623D-02-3.511247610D-05
2.464057658D-08-6.735479960D-12 -5.819023240D+04-1.622083878D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21588.132
-6.427987030D+05 5.078562990D+02 1.486725022D+01 2.026983515D-06 6.272718810D-09
-1.218822573D-12 7.241208410D-17 -6.820066000D+04-4.139110669D+01
B2F4 Gurvich,1996a pt1 p64 pt2 p41.
2 g10/97 B 2.00F 4.00 0.00 0.00 0.00 0 97.6156128 -1438000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17680.793
-5.971695640D+04 8.189425440D+02-6.437671290D-01 3.858966070D-02-4.313053190D-05
2.404463223D-08-5.393559350D-12 -1.790041225D+05 3.552179970D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17680.793
3.855865890D+04-2.928842655D+03 1.792063736D+01-9.523998270D-04 1.614708845D-07
-1.428613504D-11 5.218739670D-16 -1.613051924D+05-7.184803250D+01
B2H Adams,1989. Yu,1998.
2 g 7/00 B 2.00H 1.00 0.00 0.00 0.00 0 22.6299400 796262.497
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10115.597
8.775579740D+04-1.343931564D+03 9.832099150D+00-5.607137750D-03 5.730651050D-06
-2.266436197D-09 1.972352080D-13 1.009908698D+05-3.282461480D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10115.597
6.175545750D+05-2.627897466D+03 9.084905070D+00-5.389418330D-04 1.050714700D-07
-1.092459556D-11 4.684854660D-16 1.099537555D+05-3.164029910D+01
B2H2 Curtiss,1989a. Yu,1998.
2 g 7/00 B 2.00H 2.00 0.00 0.00 0.00 0 23.6378800 454677.939
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10573.239
1.421617322D+05-2.138011262D+03 1.317732399D+01-8.942658070D-03 1.127804935D-05
-5.787886200D-09 1.000813871D-12 6.372319250D+04-5.346982740D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10573.239
1.240614592D+06-5.368965020D+03 1.379292454D+01-1.136749748D-03 2.245617156D-07
-2.361530467D-11 1.022604572D-15 8.506511490D+04-6.435461300D+01
B2H3 Adams,1989. Yu,1998.
2 g 6/00 B 2.00H 3.00 0.00 0.00 0.00 0 24.6458200 351072.721
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11938.621
9.425147160D+04-1.075866284D+03 6.383999390D+00 1.167858327D-02-1.429661252D-05
1.128776882D-08-3.681325060D-12 4.635335080D+04-1.400002845D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11938.621
1.771506902D+06-7.872260930D+03 1.789447015D+01-1.709304785D-03 3.409575430D-07
-3.614543680D-11 1.575671409D-15 8.737711890D+04-9.054629460D+01
B2H3,db 2-Bridges. Adams,1989. Yu,1998.
2 g 7/00 B 2.00H 3.00 0.00 0.00 0.00 0 24.6458200 353408.227
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11911.227
6.064014840D+04-7.524466330D+02 5.584483840D+00 1.080468494D-02-8.649032810D-06
4.748333310D-09-1.309096028D-12 4.491792300D+04-8.873686820D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11911.227
1.497731017D+06-7.219314140D+03 1.750463766D+01-1.579698800D-03 3.164103470D-07
-3.367225150D-11 1.472919654D-15 8.324349670D+04-8.779549260D+01
B2H4 1-Bridge. Ruscic,1989b. Curtiss,1989b.
2 g 8/00 B 2.00H 4.00 0.00 0.00 0.00 0 25.6537600 211162.059
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12339.859
4.000132300D+04-3.071548876D+02 1.763071673D+00 2.646361882D-02-3.066168202D-05
2.163781936D-08-6.491835410D-12 2.581033714D+04 1.015267130D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12339.859
2.292078842D+06-1.059832517D+04 2.268612155D+01-2.363586598D-03 4.762173070D-07
-5.090100400D-11 2.233911590D-15 8.638591980D+04-1.246794566D+02
B2H4,db 2-Bridges.Ruscic,1989b. Curtiss,1989b.
2 g 7/00 B 2.00H 4.00 0.00 0.00 0.00 0 25.6537600 209932.448
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11528.648
-1.781496923D+04 5.716048040D+02-2.763085348D+00 3.125348696D-02-2.709524346D-05
1.341728634D-08-3.004352798D-12 2.158138307D+04 3.675872940D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11528.648
1.886854256D+06-1.010045614D+04 2.247110812D+01-2.319968667D-03 4.731879960D-07
-5.110673030D-11 2.262693782D-15 8.233487000D+04-1.237455797D+02
B2H5 1-Bridge. Ruscic,1989a. Trachtman,1990.
2 g 5/00 B 2.00H 5.00 0.00 0.00 0.00 0 26.6617000 254783.889
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12220.789
3.830965450D+04-4.066148050D+01-1.422523787D+00 3.674595270D-02-3.851989710D-05
2.444494440D-08-6.821722940D-12 3.008956452D+04 2.802425895D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12220.789
2.696691012D+06-1.320019835D+04 2.735260413D+01-2.961879012D-03 5.984999430D-07
-6.413748550D-11 2.821187823D-15 1.064524901D+05-1.559654379D+02
B2H5,db 2-Bridges. Ruscic,1989a. Trachtman,1990.
2 g 5/00 B 2.00H 5.00 0.00 0.00 0.00 0 26.6617000 275150.616
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11667.516
1.424446027D+04 4.204558200D+02-3.700451250D+00 3.672053100D-02-3.193503730D-05
1.695013434D-08-4.257038140D-12 3.046684683D+04 4.245495820D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11667.516
2.571729448D+06-1.356829858D+04 2.781376038D+01-3.192365030D-03 6.561165260D-07
-7.127333940D-11 3.169492650D-15 1.106370527D+05-1.597214457D+02
B2H6 Hf:Gurvich,1996a pt1 p37. Yu,1998. Duncan,1985.
2 g 5/00 B 2.00H 6.00 0.00 0.00 0.00 0 27.6696400 36600.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11932.313
-1.052844558D+04 1.041795556D+03-8.960518860D+00 5.492480880D-02-5.305197050D-05
3.011904756D-08-7.688768300D-12 -9.259374350D+02 6.812592430D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11932.313
2.835765414D+06-1.567600163D+04 3.226122330D+01-3.738609730D-03 7.718806460D-07
-8.414454540D-11 3.752223380D-15 9.358378550D+04-1.920223395D+02
B2O Gurvich,1996a pt1 p19 pt2 p14.
2 g 9/98 B 2.00O 1.00 0.00 0.00 0.00 0 37.6214000 192798.018
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11783.018
-5.699546760D+04 1.018000465D+03-2.636481947D+00 2.746009279D-02-3.632432720D-05
2.406890217D-08-6.384129720D-12 1.703874394D+04 3.855346110D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11783.018
-1.628723220D+05-3.876289810D+02 7.787723520D+00-1.146822108D-04 2.528097612D-08
-2.893783941D-12 1.339210475D-16 2.263035354D+04-1.908513011D+01
B2O2 Gurvich,1996a pt1 p19 pt2 p15.
2 tpis96 B 2.00O 2.00 0.00 0.00 0.00 0 53.6208000 -457711.486
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13396.618
8.174391690D+04-1.732702797D+03 1.605560926D+01-2.160057288D-02 3.566854570D-05
-2.660198794D-08 7.531833240D-12 -4.899632900D+04-6.172702390D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13396.618
4.605789660D+05-2.990079203D+03 1.256764079D+01-7.850974950D-04 1.672537624D-07
-1.867694780D-11 8.486190670D-16 -4.015748150D+04-4.874413710D+01
B2O3 Gurvich,1996a pt1 p25 pt2 p18.
2 tpis96 B 2.00O 3.00 0.00 0.00 0.00 0 69.6202000 -835382.271
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14418.729
7.379611910D+04-1.263620592D+03 1.072681512D+01 3.841383720D-04 5.976058380D-06
-6.552891350D-09 2.123951064D-12 -9.628183140D+04-3.088078011D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14418.729
3.905035300D+05-3.691348210D+03 1.555502598D+01-9.707645510D-04 2.068887872D-07
-2.310858356D-11 1.050136734D-15 -8.263054410D+04-6.390863440D+01
B2(OH)4 Gurvich,1996a pt1 p52 pt2 p33.
2 g 9/98 B 2.00O 4.00H 4.00 0.00 0.00 0 89.6513600 -1254987.531
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19443.069
-1.728717249D+04 8.495913480D+02-8.715959570D+00 9.362362610D-02-1.278784165D-04
8.813671160D-08-2.400605571D-11 -1.564337133D+05 7.120169310D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19443.069
2.983925656D+06-1.207469577D+04 3.162610570D+01-5.163682440D-04-4.232093970D-08
1.671977280D-11-1.156366726D-15 -8.280976970D+04-1.653010498D+02
B2S Gurvich,1996a pt1 p100, pt2 p78.
2 g 9/98 B 2.00S 1.00 0.00 0.00 0.00 0 53.6870000 622260.705
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13182.705
6.638609300D+04-9.201185690D+02 8.699831340D+00 7.645589010D-04-3.709026030D-06
3.642373980D-09-1.197766071D-12 7.770375800D+04-2.251712444D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13182.705
-1.211501483D+05-6.473398450D+01 7.546825610D+00-1.820541450D-05 3.923951170D-09
-4.403862380D-13 2.003651718D-17 7.258531870D+04-1.394971229D+01
B2S2 Gurvich,1996a pt1 p100 pt2 p79.
2 tpis96 B 2.00S 2.00 0.00 0.00 0.00 0 85.7520000 138317.112
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14569.112
-7.061549970D+04 7.182944780D+02 1.919797788D+00 2.036407461D-02-2.309813846D-05
1.311616725D-08-2.996394781D-12 1.100829019D+04 1.855402586D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14569.112
-1.641535014D+05-7.742865640D+02 1.107731737D+01-2.313278554D-04 5.125614290D-08
-5.894081230D-12 2.738673834D-16 1.733003515D+04-3.359766998D+01
B2S3 Gurvich,1996a pt1 p102 pt2 p81.
2 tpis96 B 2.00S 3.00 0.00 0.00 0.00 0 117.8170000 17754.057
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19938.057
-3.431268500D+04 5.587615370D+02 3.414077410D+00 2.398333891D-02-2.841617637D-05
1.690005199D-08-4.060070710D-12 -3.027690575D+03 1.846767864D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19938.057
-1.905855086D+05-9.348342480D+02 1.369333613D+01-2.766647250D-04 6.110155800D-08
-7.008048570D-12 3.249524620D-16 2.906433760D+03-3.946870479D+01
B3H7,C2v C2v symmetry. Stanton,1989b.
2 g 8/00 B 3.00H 7.00 0.00 0.00 0.00 0 39.4885800 176019.139
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14818.439
1.086009469D+05-7.921536800D+02-9.577368040D-01 5.656119290D-02-6.405034500D-05
4.281322960D-08-1.227580455D-11 2.430638819D+04 2.102582666D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14818.439
3.598592140D+06-1.863701968D+04 3.993998830D+01-4.275410160D-03 8.705358820D-07
-9.385105020D-11 4.147865310D-15 1.272154092D+05-2.379769856D+02
B3H7,Cs Cs symmetry. Stanton,1989b.
2 g 8/00 B 3.00H 7.00 0.00 0.00 0.00 0 39.4885800 159318.322
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14083.322
5.298169330D+04 4.071745370D+02-9.635730530D+00 7.944312000D-02-9.306456820D-05
6.105147350D-08-1.685927691D-11 1.707069083D+04 6.873966560D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14083.322
3.281576450D+06-1.811096595D+04 3.963832460D+01-4.178424110D-03 8.526829060D-07
-9.209600240D-11 4.076496770D-15 1.213622564D+05-2.357090217D+02
B3H9 Hf:McKee,1990. Stanton,1989a.
2 g 7/00 B 3.00H 9.00 0.00 0.00 0.00 0 41.5044600 138908.800
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17329.935
8.483214900D+04-5.206163040D+02-4.665701210D-01 5.346983860D-02-4.155796820D-05
1.944135439D-08-4.541227350D-12 1.805101100D+04 2.110804198D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17329.935
3.863999500D+06-2.229433407D+04 4.875046150D+01-5.418449260D-03 1.125767651D-06
-1.233226406D-10 5.520348180D-15 1.422187123D+05-2.958240102D+02
B3N3H6 Borazole. Gurvich,1996a pt1 p107 pt2 p85.
2 tpis96 B 3.00N 3.00H 6.00 0.00 0.00 0 80.5007400 -512000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16221.348
-1.552621082D+05 4.010211270D+03-3.382491300D+01 1.624575582D-01-2.065528647D-04
1.368862991D-07-3.673470900D-11 -8.051253400D+04 1.995000751D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16221.348
3.739245170D+06-1.941238951D+04 4.445070030D+01-3.210308050D-03 5.717465420D-07
-5.486692140D-11 2.191943197D-15 4.758426160D+04-2.641156625D+02
B3O3CL3 Gurvich,1996a pt1 p80 pt2 p57.
2 tpis96 B 3.00O 3.00CL 3.00 0.00 0.00 0 186.7902000 -1635982.041
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24451.781
-4.284452800D+04 1.005623966D+03-4.556519630D+00 8.117967140D-02-1.038385803D-04
6.621422330D-08-1.695748504D-11 -2.040907277D+05 5.466113803D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24451.781
-7.414059810D+05-2.527447455D+03 2.687263667D+01-7.463389360D-04 1.646334110D-07
-1.886231553D-11 8.737926310D-16 -1.923509858D+05-1.185636255D+02
B3O3FCL2 Gurvich,1996a pt1 p89 pt2 p68.
2 tpis96 B 3.00O 3.00F 1.00CL 2.00 0.00 0 170.3356032 -1883807.681
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23448.139
-3.719120070D+04 8.673745890D+02-4.095778460D+00 7.815563970D-02-9.767035170D-05
6.097610090D-08-1.532880319D-11 -2.331383552D+05 5.198088158D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23448.139
-7.162360830D+05-2.851210308D+03 2.710953133D+01-8.400919640D-04 1.852318684D-07
-2.121694694D-11 9.827291560D-16 -2.202729252D+05-1.210679365D+02
B3O3F2CL Gurvich,1996a pt1 p89 pt2 p67.
2 tpis96 B 3.00O 3.00F 2.00CL 1.00 0.00 0 153.8810064 -2132816.827
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22260.991
-5.277015540D+04 1.104904696D+03-5.854181050D+00 7.953943100D-02-9.592660770D-05
5.799856310D-08-1.416698348D-11 -2.640400115D+05 6.071247222D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22260.991
-6.810787490D+05-3.370009020D+03 2.748953579D+01-9.905442560D-04 2.182908440D-07
-2.499573480D-11 1.157532106D-15 -2.472114785D+05-1.261501548D+02
B3O3F3 Gurvich,1996a pt1 p67 pt2 p44.
2 tpis96 B 3.00O 3.00F 3.00 0.00 0.00 0 137.4264096 -2382699.078
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21200.738
-7.251549780D+04 1.400996228D+03-7.906716200D+00 8.217161850D-02-9.633152660D-05
5.668194260D-08-1.349024305D-11 -2.953461728D+05 7.001536830D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21200.738
-6.629822910D+05-3.784946870D+03 2.779526578D+01-1.112096232D-03 2.450806704D-07
-2.806484980D-11 1.299750466D-15 -2.748865475D+05-1.315605015D+02
B4H4 Yu,1998. Mach,1994.
2 g 8/00 B 4.00H 4.00 0.00 0.00 0.00 0 47.2757600 326190.400
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14936.602
2.171791579D+05-2.598282557D+03 9.845440610D+00 3.026309140D-02-4.128334160D-05
3.089368344D-08-9.353384260D-12 5.079143480D+04-3.770757210D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14936.602
1.937200886D+06-1.078185932D+04 2.879625241D+01-2.401547707D-03 4.837756780D-07
-5.170490230D-11 2.269138182D-15 9.836595390D+04-1.561814117D+02
B4H10 Wagman,1982 p123. McKee,1990. Dain,1981.
2 g 5/00 B 4.00H 10.00 0.00 0.00 0.00 0 53.3234000 66100.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15485.574
-3.296604820D+04 2.440532922D+03-2.685332563D+01 1.406499347D-01-1.586710574D-04
9.874594130D-08-2.601426018D-11 -3.091924018D+03 1.589905532D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15485.574
4.030474130D+06-2.560629762D+04 5.687233660D+01-6.178567860D-03 1.280621032D-06
-1.400254585D-10 6.258866560D-15 1.506009087D+05-3.520714200D+02
B4H12 Shen,1993. Yu,1998.
2 g 5/00 B 4.00H 12.00 0.00 0.00 0.00 0 55.3392800 188236.114
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21748.714
7.152170300D+04-1.590351575D+02-4.719771660D+00 8.811228900D-02-8.604946880D-05
5.123535510D-08-1.379865250D-11 2.194186547D+04 4.187897400D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21748.714
6.158360800D+06-3.202086730D+04 6.660443600D+01-7.406369280D-03 1.512993908D-06
-1.635619071D-10 7.245385140D-15 2.054586275D+05-4.142106860D+02
B5H9 Hf:Chase,1998 p303 3/65.McKee,1990.Beaudet,1988.Yu,1998.
2 g 6/00 B 5.00H 9.00 0.00 0.00 0.00 0 63.1264600 73220.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16052.677
8.998473720D+04 1.042533357D+02-1.195549834D+01 1.007310686D-01-9.866680210D-05
5.295535180D-08-1.232119583D-11 8.374341780D+03 7.663090480D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16052.677
3.169017620D+06-2.282503203D+04 5.512008980D+01-5.563411420D-03 1.157837073D-06
-1.270332301D-10 5.694262030D-15 1.334452571D+05-3.371060460D+02
Ba Gurvich,1996a. Moore,1971. Moore,1970a. Gordon,1999.
3 g10/97 BA 1.00 0.00 0.00 0.00 0.00 0 137.3270000 185000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
2.222563526D+03-3.407977850D+01 2.706751118D+00-6.382894490D-04 1.063003846D-06
-9.102624270D-10 3.148062219D-13 2.166549702D+04 5.102545880D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-1.926579228D+07 6.006501040D+04-6.633964130D+01 3.507565930D-02-7.807601830D-06
8.085126800D-10-3.199486918D-14 -3.589663720D+05 5.007583400D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
3.483452070D+08-2.925558261D+05 9.774888490D+01-1.345477126D-02 9.567239790D-07
-3.380662310D-11 4.727390540D-16 2.250335260D+06-7.968444410D+02
Ba+ Moore,1971. Gordon,1999.
3 g10/97 BA 1.00E -1.00 0.00 0.00 0.00 0 137.3264514 694049.528
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-5.423167550D+04 6.744680780D+02-8.940272500D-01 8.796642950D-03-1.222812901D-05
8.387953870D-09-2.037964358D-12 7.941774640D+04 2.607063698D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
8.794971850D+06-1.951817883D+04 1.485542861D+01-9.404233500D-04-7.031257790D-07
1.667412753D-10-1.070117310D-14 2.146800732D+05-9.228264190D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-1.055569557D+08 4.530799570D+04-5.410673220D-01-7.531497600D-04 1.295568595D-07
-6.013388590D-12 8.846178515D-17 -3.000874708D+05 4.370610780D+01
BaBr Gurvich,1996a pt1 p576 pt2 p437.
2 tpis96 BA 1.00BR 1.00 0.00 0.00 0.00 0 217.2310000 -75324.677
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10200.123
-6.912557440D+02-6.245500160D+01 4.796677650D+00-6.838004940D-04 1.043947680D-06
-7.441224300D-10 2.172187003D-13 -1.011349165D+04 5.196454870D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10200.123
-1.056014042D+06 1.034740207D+03 6.735729380D+00-3.784026300D-03 1.952196896D-06
-3.347831880D-10 1.893189803D-14 -1.950233645D+04-5.069279640D+00
BaBr2 Gurvich,1996a pt1 p579 pt2 p439.
2 tpis96 BA 1.00BR 2.00 0.00 0.00 0.00 0 297.1350000 -412514.741
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15485.759
-5.143374060D+03-3.870518460D+01 7.162446970D+00-3.696715310D-04 4.689715270D-07
-3.107902475D-10 8.363582050D-14 -5.153318260D+04 9.741407000D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15485.759
-8.928251210D+03-7.536558890D-01 7.000658210D+00-2.949821710D-07 7.092392110D-11
-8.670038100D-15 4.221742310D-19 -5.172669490D+04 1.910185706D+00
BaCL Gurvich,1996a pt1 p570 pt2 p433.
2 tpis96 BA 1.00CL 1.00 0.00 0.00 0.00 0 172.7800000 -136290.881
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9877.119
-2.661946867D+03-7.724996340D+01 4.746106050D+00-3.523548880D-04 3.999198350D-07
-1.936413749D-10 4.124048530D-14 -1.736328141D+04 3.904455084D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9877.119
-1.075410089D+06 1.209303069D+03 6.272558600D+00-3.288110310D-03 1.717751087D-06
-2.910607065D-10 1.632658438D-14 -2.779173737D+04-3.574185216D+00
BaCL+ Gurvich,1996a pt1 p572 pt2 p434.
2 g12/97 BA 1.00CL 1.00E -1.00 0.00 0.00 0 172.7794514 348697.630
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9668.230
-8.951556690D+02-1.334692684D+02 4.935416120D+00-7.574054510D-04 8.355724000D-07
-4.685258510D-10 1.095343103D-13 4.125155990D+04 1.896278378D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9668.230
-1.829198157D+04-2.931616688D+00 4.502280710D+00 3.671788490D-05 2.396147871D-09
5.479458600D-14 1.174342316D-18 4.055100150D+04 4.503765564D+00
BaCL2 Gurvich,1996a pt1 p575 pt2 p436.
2 tpis96 BA 1.00CL 2.00 0.00 0.00 0.00 0 208.2330000 -499301.387
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14599.113
-1.157501999D+03-2.054518828D+02 7.837514050D+00-1.867700704D-03 2.335378734D-06
-1.531373341D-09 4.088525090D-13 -6.115665280D+04-5.978149218D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14599.113
-2.216598768D+04-4.002483810D+00 7.003426740D+00-1.515820808D-06 3.611849210D-10
-4.386759060D-14 2.125803293D-18 -6.219095270D+04-1.132439694D+00
BaF Gurvich,1996a pt1 p562 pt2 p429.
2 tpis96 BA 1.00F 1.00 0.00 0.00 0.00 0 156.3254032 -318993.788
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9342.112
2.530317292D+04-4.716995100D+02 6.185036220D+00-3.366678800D-03 4.011834560D-06
-2.506578601D-09 6.477258160D-13 -3.731872140D+04-6.220715380D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9342.112
1.868380434D+06-7.071099600D+03 1.466959284D+01-6.995950200D-03 2.366313845D-06
-3.287734300D-10 1.647896238D-14 3.571780680D+03-6.662390920D+01
BaF+ Gurvich,1996a pt1 p566 pt2 p430.
2 g12/97 BA 1.00F 1.00E -1.00 0.00 0.00 0 156.3248546 134063.214
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9201.714
2.840719922D+04-4.863571820D+02 5.946058390D+00-2.429844077D-03 2.445346729D-06
-1.316757471D-09 2.974886320D-13 1.730639076D+04-5.951206930D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9201.714
-4.054423670D+04-1.701997704D+01 4.513055340D+00 2.632753508D-05 2.612088236D-09
-9.502197930D-14 6.515176160D-18 1.474486570D+04 2.783167711D+00
BaF2 Gurvich,1996a pt1 p569 pt2 p432.
2 tpis96 BA 1.00F 2.00 0.00 0.00 0.00 0 175.3238064 -812003.483
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13437.017
3.488395520D+04-7.648459560D+02 9.797750380D+00-5.756457510D-03 6.775603800D-06
-4.243614750D-09 1.093687692D-12 -9.590356450D+04-2.082035292D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13437.017
-5.508633660D+04-1.691114228D+01 7.013564880D+00-5.731909770D-06 1.321203959D-09
-1.565528167D-13 7.444983020D-18 -9.983529700D+04-4.389581490D+00
BaH Gurvich,1996a pt1 p554 pt2 p423.
2 tpis96 BA 1.00H 1.00 0.00 0.00 0.00 0 138.3349400 209535.105
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8731.105
-3.765268880D+04 6.986680120D+02-1.313524351D+00 1.460648882D-02-1.802974829D-05
1.133031115D-08-2.865589059D-12 2.097478889D+04 3.230802600D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8731.105
-6.755466570D+06 1.730700212D+04-1.136812458D+01 5.617744740D-03-3.180788850D-07
-1.052342502D-10 1.111101879D-14 -8.954070380D+04 1.182377538D+02
BaI Gurvich,1996a pt1 p581 pt2 p440.
2 tpis96 BA 1.00I 1.00 0.00 0.00 0.00 0 264.2314700 -10237.675
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10397.125
-4.186285540D+03 1.033094613D+01 4.428900230D+00 3.026019976D-04-2.591429408D-07
1.741605400D-10-3.370062760D-14 -2.636169733D+03 8.201924680D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10397.125
-3.533859660D+06 7.394258000D+03 1.285151488D+00-2.303429302D-03 2.214839289D-06
-4.681096810D-10 3.011371472D-14 -5.340229590D+04 3.710443870D+01
BaI2 Gurvich,1996a pt1 p584 pt2 p442.
2 tpis96 BA 1.00I 2.00 0.00 0.00 0.00 0 391.1359400 -288439.965
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15790.435
-4.241592730D+03-1.862214382D+01 7.078556750D+00-1.793922821D-04 2.281437677D-07
-1.514647881D-10 4.081498360D-14 -3.670351490D+04 3.163138970D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15790.435
-6.048224800D+03-3.622729450D-01 7.000317450D+00-1.425793502D-07 3.433349420D-11
-4.201754980D-15 2.047703474D-19 -3.679650750D+04 3.615475320D+00
BaO Gurvich,1996a pt1 p550 pt2 p419.
3 tpis96 BA 1.00O 1.00 0.00 0.00 0.00 0 153.3264000 -117948.392
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9014.108
3.764398500D+04-5.071555300D+02 5.392847280D+00-4.119324690D-04-6.527896620D-07
9.430588420D-10-3.436603030D-13 -1.275552614D+04-3.752213760D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9014.108
1.318481698D+07-3.854253250D+04 4.686741610D+01-2.188646633D-02 5.335677450D-06
-5.152304300D-10 1.433083400D-14 2.306902396D+05-3.028332772D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9014.108
-1.104748482D+09 3.561451690D+05-1.236258085D+01-2.812895475D-03 3.310897210D-07
-1.254960778D-11 1.696392420D-16 -3.157682531D+06 2.067297489D+02
BaO+ Gurvich,1996a pt1 p552 pt2 p421.
3 g11/98 BA 1.00O 1.00E -1.00 0.00 0.00 0 153.3258514 511704.686
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9469.786
3.566410970D+05-3.779246710D+03 1.673544137D+01-1.306611610D-02 2.686157445D-06
4.044077950D-09-2.016508813D-12 7.983268490D+04-7.285118550D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9469.786
-3.317679230D+05 1.594253495D+03 3.227247810D+00 5.722641500D-04-1.147415658D-07
1.382873231D-11-6.384437030D-16 5.025247610D+04 1.409092365D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9469.786
-3.283193020D+06 2.046049762D+03 4.048225140D+00 9.872145390D-05 7.763808620D-11
2.536329860D-13-1.334411326D-18 4.456858530D+04 8.528620900D+00
BaOH Gurvich,1996a pt1 p557 pt2 p425.
2 tpis96 BA 1.00O 1.00H 1.00 0.00 0.00 0 154.3343400 -224256.513
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11224.581
3.776231510D+04-8.891390220D+02 9.531718000D+00-5.458825900D-03 4.941783010D-06
-1.809327537D-09 2.050048305D-13 -2.441852965D+04-2.489410158D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11224.581
2.637336694D+06-8.365410400D+03 1.599803975D+01-5.098446050D-03 1.594657431D-06
-2.180478542D-10 1.084610688D-14 2.393550647D+04-7.490705790D+01
BaOH+ Gurvich,1996a pt1 p558 pt2 p426.
2 tpis96 BA 1.00O 1.00H 1.00E -1.00 0.00 0 154.3337914 202019.313
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11302.980
2.797632165D+04-7.680769400D+02 9.052978440D+00-4.368577900D-03 3.523497260D-06
-8.386360870D-10-6.475457470D-14 2.623280802D+04-2.264561641D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11302.980
8.766738430D+05-2.335819600D+03 7.973166060D+00 1.038679898D-04-6.319485780D-08
1.028729445D-11-5.741808570D-16 3.772517470D+04-1.930805001D+01
Ba(OH)2 Gurvich,1996a pt1 p561 pt2 p428.
2 tpis96 BA 1.00O 2.00H 2.00 0.00 0.00 0 171.3416800 -606666.472
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17388.725
5.702814900D+04-1.577384797D+03 1.659935325D+01-1.039598275D-02 9.664889600D-06
-3.673621440D-09 4.625784990D-13 -6.835158900D+04-5.851911700D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17388.725
1.762908112D+06-4.676205420D+03 1.395135494D+01 2.051842928D-04-1.257265530D-07
2.048917625D-11-1.144045777D-15 -4.545964410D+04-4.929457190D+01
BaS Gurvich,1996a pt1 p585 pt2 p444.
2 tpis96 BA 1.00S 1.00 0.00 0.00 0.00 0 169.3920000 38871.315
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9556.115
1.377075147D+04-3.293500560D+02 5.811545840D+00-2.848973760D-03 3.576336020D-06
-2.325649347D-09 6.172805310D-13 4.964432450D+03-3.497962615D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9556.115
6.104262070D+06-2.227617479D+04 3.597513510D+01-2.157793740D-02 7.319872350D-06
-1.089038636D-09 5.884101950D-14 1.404138006D+05-2.141776331D+02
Ba2 Gurvich,1996a pt1 p545 pt2 p417.
2 tpis96 BA 2.00 0.00 0.00 0.00 0.00 0 274.6540000 355964.337
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11359.137
-1.294177083D+04-7.276330080D+02 1.464866569D+01-3.966331650D-02 5.898711060D-05
-4.235300560D-08 1.189594362D-11 4.386712230D+04-4.145673670D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11359.137
2.160114547D+05 1.950676877D+02 2.253699771D+00 1.507750613D-04-4.742515000D-08
7.048951960D-12-3.547440170D-16 4.167762970D+04 2.375906459D+01
Be Hf:Cox,1989. Kramida,1997. Gordon,1999.
3 g11/97 BE 1.00 0.00 0.00 0.00 0.00 0 9.0121820 324000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-4.112901520D-04 5.364967360D-06 2.499999972D+00 7.569203690D-11-1.097852652D-13
8.002110240D-17-2.303022777D-20 3.822264590D+04 2.146172983D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-6.926285840D+05 2.466773005D+03-9.776613340D-01 2.458939515D-03-9.047950420D-07
1.587880407D-10-9.415600603D-15 2.300212917D+04 2.623234754D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
4.145833520D+08-2.254147519D+05 4.411437910D+01-3.022853591D-03 1.178346131D-07
-2.273387650D-12 1.196838345D-17 1.866686325D+06-3.752337400D+02
Be+ Moore,1971. Moore,1970a. Gordon,1999.
3 g 1/98 BE 1.00E -1.00 0.00 0.00 0.00 0 9.0116334 1229701.328
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.471528569D+05 2.839228698D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-9.478135980D+04 2.768325398D+02 2.191388413D+00 1.648824289D-04-4.280166820D-08
4.542350470D-12-6.270417825D-17 1.453850986D+05 5.055503840D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-2.321269508D+08 1.525464518D+05-3.651092580D+01 4.812692090D-03-2.928878120D-07
8.899649840D-12-1.055676610D-16 -1.052744318D+06 3.402173130D+02
Be++ Moore,1970a. Gordon,1999.
3 g 3/97 BE 1.00E -2.00 0.00 0.00 0.00 0 9.0110848 2993001.528
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 3.592279160D+05 2.145990203D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 3.592279160D+05 2.145990203D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 3.592279160D+05 2.145990203D+00
BeBr Gurvich,1996a pt1 p374 pt2 p300.
2 tpis96 BE 1.00BR 1.00 0.00 0.00 0.00 0 88.9161820 132446.308
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8971.108
3.746288060D+04-4.722339070D+02 5.039409040D+00 5.798853220D-04-1.937634343D-06
1.793372625D-09-5.672295580D-13 1.723135679D+04-2.573912886D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8971.108
8.217238140D+05-2.850509348D+03 8.017266020D+00-2.105663212D-03 6.849136340D-07
-9.989129320D-11 5.192456840D-15 3.229372870D+04-2.326810811D+01
BeBr2 Gurvich,1996a pt1 p377 pt2 p302.
2 tpis96 BE 1.00BR 2.00 0.00 0.00 0.00 0 168.8201820 -234062.499
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12837.501
-2.118698678D+04 2.090382611D+02 3.731171310D+00 1.115501549D-02-1.542821761D-05
1.052354444D-08-2.850006057D-12 -3.090456277D+04 9.458917720D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12837.501
-1.041331811D+05-1.543443092D+02 7.614465410D+00-4.556700630D-05 1.003180548D-08
-1.146879501D-12 5.301795380D-17 -2.984527608D+04-1.149360980D+01
BeCL Gurvich,1996a pt1 p369, pt2 p295.
2 tpis96 BE 1.00CL 1.00 0.00 0.00 0.00 0 44.4651820 56693.107
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8861.107
2.016138947D+04-1.413988978D+02 2.898223773D+00 6.069925510D-03-9.162038470D-06
6.612620660D-09-1.859126853D-12 6.626691440D+03 7.900181050D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8861.107
2.808845146D+05-1.103100122D+03 5.671189830D+00-5.443000450D-04 1.459036606D-07
-1.230971735D-11 9.900804760D-17 1.224649804D+04-8.382371370D+00
BeCL2 Gurvich,1996a pt1 p373 pt2 p298.
2 tpis96 BE 1.00CL 2.00 0.00 0.00 0.00 0 79.9181820 -361539.140
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12080.860
-2.229957657D+04 1.528781667D+02 3.714994710D+00 1.067776550D-02-1.397766942D-05
9.066693560D-09-2.350292311D-12 -4.590428230D+04 6.682555572D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12080.860
-1.154087460D+05-2.484300053D+02 7.685672140D+00-7.444960370D-05 1.649479787D-08
-1.895997075D-12 8.804973950D-17 -4.468747280D+04-1.500337407D+01
BeF Gurvich,1996a pt1 p363, pt2 p291.
2 tpis96 BE 1.00F 1.00 0.00 0.00 0.00 0 28.0105852 -170624.795
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8711.105
-4.664497230D+04 7.887178850D+02-1.463363201D+00 1.381790494D-02-1.591299964D-05
9.352931520D-09-2.229211181D-12 -2.522627476D+04 3.197634300D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8711.105
-1.857941543D+05 4.776082770D+01 4.269986020D+00 2.310668473D-04-6.657214920D-08
1.152149888D-11-6.335586440D-16 -2.257950960D+04-2.184787270D-01
BeF2 Gurvich,1996a pt1 p366 pt2 p293.
2 tpis96 BE 1.00F 2.00 0.00 0.00 0.00 0 47.0089884 -796588.236
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10879.764
7.490270240D+03-2.878053102D+02 5.434712820D+00 3.903233460D-03-2.214865601D-06
-1.965806119D-10 4.042362270D-13 -9.591615640D+04-5.616616920D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10879.764
-6.482018070D+04-7.684556060D+02 8.062860840D+00-2.227502549D-04 4.891598660D-08
-5.587886720D-12 2.583409761D-16 -9.395495490D+04-2.125660266D+01
BeH Gurvich,1996a pt1 p356, pt2 p286.
2 tpis96 BE 1.00H 1.00 0.00 0.00 0.00 0 10.0201220 342252.104
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8648.104
-1.615149125D+03-5.935286080D+01 4.507269100D+00-5.264189610D-03 1.145319967D-05
-9.247883590D-09 2.700364753D-12 4.030193040D+04-3.485117050D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8648.104
-2.424081636D+06 6.597398460D+03-3.626316480D+00 4.579634350D-03-1.163329056D-06
1.297785691D-10-5.291885810D-15 -2.489846221D+03 5.216018690D+01
BeH+ Chase,1998 p391 9/66.
3 g 1/01 BE 1.00H 1.00E -1.00 0.00 0.00 0 10.0195734 1178218.951
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8643.951
-3.220611020D+04 2.520229596D+02 3.207719570D+00-2.191287290D-03 6.902534490D-06
-5.769522630D-09 1.656414969D-12 1.392530660D+05 3.307044770D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8643.951
4.622341590D+05-1.760169629D+03 5.379905550D+00 2.742462444D-05-1.167208170D-07
3.557177910D-11-2.569695765D-15 1.515859734D+05-1.369222641D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8643.951
2.282300776D+08-1.214880850D+05 2.642762928D+01-1.410369386D-03 3.776812140D-08
6.975949060D-14-1.287263021D-17 1.127119075D+06-2.060147218D+02
BeH2 Martin,J.M.L.,1992. Martin,J.M.L.,1997.
2 g 4/01 BE 1.00H 2.00 0.00 0.00 0.00 0 11.0280620 161098.903
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9219.103
9.065314900D+04-1.320657220D+03 9.901308060D+00-1.255772231D-02 2.205704068D-05
-1.633609388D-08 4.505103240D-12 2.464561869D+04-3.635826750D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9219.103
6.074262010D+05-3.407534250D+03 9.792370360D+00-8.254614820D-04 1.915656246D-07
-1.962774813D-11 8.929908660D-16 3.793105200D+04-4.254653580D+01
BeI Gurvich,1996a pt1 p378, pt2 p303.
2 tpis96 BE 1.00I 1.00 0.00 0.00 0.00 0 135.9166520 207454.309
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9089.109
3.530054810D+04-5.190950260D+02 5.714505240D+00-1.409073640D-03 7.664772120D-07
-2.601945105D-11-8.230960640D-14 2.637903657D+04-5.140997840D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9089.109
-5.328206620D+05 1.139497861D+03 3.629171660D+00 1.704033769D-04 1.067048688D-07
-3.589457880D-11 2.722769560D-15 1.585474307D+04 9.370951270D+00
BeI2 Gurvich,1996a pt1 p380 pt2 p305.
2 tpis96 BE 1.00I 2.00 0.00 0.00 0.00 0 262.8211220 -64759.451
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13440.549
3.592726180D+02-4.866059010D+01 5.241571180D+00 7.830305060D-03-1.169525374D-05
8.389583910D-09-2.356636003D-12 -9.333220920D+03 2.896318281D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13440.549
-9.392372840D+04-8.959214380D+01 7.565554790D+00-2.577727326D-05 5.614265330D-09
-6.359663850D-13 2.917080336D-17 -9.814768620D+03-9.032042810D+00
BeN Chase,1998 p403.
2 j 6/63 BE 1.00N 1.00 0.00 0.00 0.00 0 23.0188820 427000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8725.221
-4.247783630D+04 7.590188900D+02-1.561469235D+00 1.496945721D-02-1.835608880D-05
1.146861461D-08-2.897470581D-12 4.683003320D+04 3.256973759D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8725.221
-5.909696160D+04-3.078649431D+02 4.727959150D+00-3.928158830D-05 2.006201069D-08
-2.300018068D-12 1.066101831D-16 5.156095710D+04-3.031380625D+00
BeO Gurvich,1996a pt1 p351, pt2 p280.
3 tpis96 BE 1.00O 1.00 0.00 0.00 0.00 0 25.0115820 128940.304
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8688.104
-4.869458320D+04 7.213473620D+02-3.784157320D-01 8.792203850D-03-7.070151260D-06
2.250175620D-09-2.799117872D-14 1.101466639D+04 2.574081184D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8688.104
-3.503472450D+07 1.055859473D+05-1.165011722D+02 6.477369480D-02-1.649656058D-05
2.005558400D-09-9.426891790D-14 -6.570018000D+05 8.640898030D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8688.104
-7.440106320D+07 4.309665300D+04-1.019586064D-01 2.617209088D-04-2.461810861D-08
1.124733698D-12-1.832802285D-17 -3.402379380D+05 4.487040230D+01
BeOH Gurvich,1996a pt1 p358 pt2 p288.
2 tpis96 BE 1.00O 1.00H 1.00 0.00 0.00 0 26.0195220 -99717.721
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10798.450
-3.853024520D+04 4.498059290D+02 1.532096459D+00 1.299912603D-02-1.708979996D-05
1.169968182D-08-3.163183710D-12 -1.559046567D+04 1.545542930D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10798.450
8.550330310D+05-2.646537838D+03 8.204784630D+00 1.110814513D-05-4.265364000D-08
7.926511920D-12-4.645419520D-16 3.121216271D+03-2.571641308D+01
BeOH+ Chase,1998 p393.
3 j12/75 BE 1.00O 1.00H 1.00E -1.00 0.00 0 26.0189734 759983.920
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9550.904
7.106119160D+04-8.068981600D+02 5.603107810D+00 4.932070860D-03-7.722847160D-06
5.910889810D-09-1.695201901D-12 9.440782420D+04-1.088099852D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9550.904
8.134874390D+05-2.814653683D+03 8.381145010D+00-6.942073280D-05-2.369535806D-08
5.678106380D-12-3.583253560D-16 1.073129932D+05-2.901093335D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9550.904
-6.279111750D+06 2.090044240D+03 7.025559910D+00 5.492111300D-05-3.446137200D-09
1.115947764D-13-1.461494242D-18 6.914837000D+04-1.732443156D+01
Be(OH)2 Gurvich,1996a pt1 p360 pt2 p290.
2 tpis96 BE 1.00O 2.00H 2.00 0.00 0.00 0 43.0268620 -638864.416
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15225.858
7.863089830D+03-7.397142250D+02 1.043303334D+01 4.514249530D-03-6.950601530D-06
5.777030040D-09-1.727199382D-12 -7.585676960D+04-3.301466610D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15225.858
1.722889403D+06-5.242477190D+03 1.486877785D+01 3.931498360D-05-8.920276310D-08
1.630912925D-11-9.505371140D-16 -4.642823840D+04-6.476804020D+01
BeS Gurvich,1996a pt1 p381 pt2 p307.
2 tpis96 BE 1.00S 1.00 0.00 0.00 0.00 0 41.0771820 247095.306
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8780.106
-7.390579080D+03 2.828134792D+02 6.552019400D-01 1.076012495D-02-1.398380157D-05
8.818418890D-09-2.110588578D-12 2.751593294D+04 1.980493561D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8780.106
-1.655708361D+07 5.431466120D+04-6.351859250D+01 3.964091990D-02-1.078978696D-05
1.394030343D-09-6.936955040D-14 -3.121559628D+05 4.803454935D+02
Be2 Gurvich,1996a pt1 p346 pt2 p277.
2 tpis96 BE 2.00 0.00 0.00 0.00 0.00 0 18.0243640 637543.318
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9838.118
-1.580873810D+05 2.035567774D+03-3.691580630D+00 1.028818435D-02-9.603854510D-06
4.707519420D-09-9.374688790D-13 6.526968370D+04 4.879324990D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9838.118
1.010034484D+05 1.414207488D+02 2.292070182D+00 1.543331824D-04-5.801043000D-08
1.003129697D-11-5.682818340D-16 7.550139730D+04 1.238758616D+01
Be2CL4 Gurvich,1996a pt1 p374 pt2 p299.
2 tpis96 BE 2.00CL 4.00 0.00 0.00 0.00 0 159.8363640 -819604.973
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22641.384
1.216152589D+05-2.000824823D+03 1.723384275D+01 5.810448280D-03-1.362970089D-05
1.156602362D-08-3.552255800D-12 -9.206475470D+04-6.137959774D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22641.384
-3.354920080D+05-2.316199283D+02 1.617047912D+01-6.734405950D-05 1.472073032D-08
-1.672352806D-12 7.688773970D-17 -1.031075197D+05-5.047009374D+01
Be2F4 Gurvich,1996a pt1 p368 pt2 p294.
2 tpis96 BE 2.00F 4.00 0.00 0.00 0.00 0 94.0179768 -1731699.842
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19834.508
-6.327701870D+03-6.902533720D+01 5.470937230D+00 3.097341347D-02-4.094310060D-05
2.668113685D-08-6.942909560D-12 -2.105979269D+05-2.073546195D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19834.508
-3.681834950D+05-9.439191480D+02 1.670099855D+01-2.797974015D-04 6.178061720D-08
-7.083080190D-12 3.282791040D-16 -2.089045725D+05-6.092665760D+01
Be2O Gurvich,1996a pt1 p353 pt2 p282.
2 tpis96 BE 2.00O 1.00 0.00 0.00 0.00 0 34.0237640 -37033.803
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11190.386
-4.263673570D+02-1.159556261D+02 4.082677770D+00 1.015885064D-02-1.326015538D-05
8.488955360D-09-2.168039077D-12 -5.362258120D+03 1.253737886D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11190.386
-1.412646378D+05-3.498644590D+02 7.760932680D+00-1.044953518D-04 2.313342334D-08
-2.657722263D-12 1.233820439D-16 -5.172385490D+03-1.854887619D+01
Be2OF2 Chase,1998 p417.
2 j 6/66 BE 2.00O 1.00F 2.00 0.00 0.00 0 72.0205704 -1204574.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16584.874
-2.783491921D+04 1.782881461D+02 4.094251360D+00 2.270142496D-02-2.672688189D-05
1.572575618D-08-3.736070580D-12 -1.480081903D+05 7.353494770D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16584.874
-2.281826506D+05-1.130355396D+03 1.383400563D+01-3.316080640D-04 7.304921010D-08
-8.362704380D-12 3.872184980D-16 -1.431390587D+05-4.739150230D+01
Be2O2 Gurvich,1996a pt1 p354 pt2 p283.
2 tpis96 BE 2.00O 2.00 0.00 0.00 0.00 0 50.0231640 -411635.309
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10928.932
-3.031719530D+04 1.163353177D+03-8.733155950D+00 5.372002930D-02-7.279439190D-05
4.894928250D-08-1.312147056D-11 -5.546936880D+04 6.953282640D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10928.932
-3.960576640D+05-9.074948830D+02 1.067160422D+01-2.670905218D-04 5.877629990D-08
-6.718664090D-12 3.105949075D-16 -4.861114330D+04-3.616546890D+01
Be3O3 Gurvich,1996a pt1 p355 pt2 p284.
2 tpis96 BE 3.00O 3.00 0.00 0.00 0.00 0 75.0347460 -1023720.628
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15125.733
-2.738072346D+04 8.743832600D+02-6.599606120D+00 6.533021140D-02-8.762305740D-05
5.817244790D-08-1.540600500D-11 -1.284679012D+05 5.837203120D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15125.733
-5.890809360D+05-1.392823588D+03 1.703450699D+01-4.127330740D-04 9.107529150D-08
-1.043465231D-11 4.833053770D-16 -1.219045534D+05-7.000614510D+01
Be4O4 Gurvich,1996a pt1 p356 pt2 p285.
2 tpis96 BE 4.00O 4.00 0.00 0.00 0.00 0 100.0463280 -1649294.582
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15833.899
-6.893255640D+04 1.687565069D+03-1.479616594D+01 1.007319774D-01-1.291057622D-04
8.243136760D-08-2.111283987D-11 -2.072877151D+05 1.002507262D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15833.899
-8.841338460D+05-2.726394165D+03 2.402941774D+01-8.114675460D-04 1.794255972D-07
-2.059359498D-11 9.552905330D-16 -1.923710587D+05-1.136620750D+02
Br Hf:Cox,1989. Moore,1971. Moore,1970a. Gordon,1999.
3 g 3/97 BR 1.00 0.00 0.00 0.00 0.00 0 79.9040000 111870.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-3.700293910D+03 6.145215420D+01 2.092120721D+00 1.376818870D-03-2.445566658D-06
2.050975161D-09-5.144249091D-13 1.242508647D+04 8.996166200D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-4.789717400D+06 1.692051999D+04-2.024085357D+01 1.395620355D-02-3.656230560D-06
4.489781000D-10-2.122507526D-14 -9.207054960D+04 1.661695929D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-1.240248003D+08 7.034034730D+04-1.023087313D+01 1.373755814D-03-7.476473480D-08
2.160883187D-12-2.659054603D-17 -5.563101070D+05 1.226657143D+02
Br+ Moore,1971. Moore,1970a. Gordon,1999.
3 g10/97 BR 1.00E -1.00 0.00 0.00 0.00 0 79.9034514 1257927.034
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.434
3.981187420D+04-4.751581470D+02 4.734578980D+00-5.169324790D-03 5.905857520D-06
-2.885129283D-09 5.054894290D-13 1.529052046D+05-5.769283220D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.434
1.741149829D+06-5.455465670D+03 8.470663350D+00-2.683465574D-03 6.590454560D-07
-7.953770300D-11 3.735898818D-15 1.851781643D+05-3.637909030D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.434
-6.174903280D+07 3.641704160D+04-5.739744680D+00 1.067497350D-03-7.127689890D-08
2.155618820D-12-1.769476126D-17 -1.399767498D+05 7.931577700D+01
Br- Hotop,1985. Gordon,1999.
3 g10/97 BR 1.00E 1.00 0.00 0.00 0.00 0 79.9045486 -219000.472
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.708492743D+04 5.419556170D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.708492743D+04 5.419556170D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.708492743D+04 5.419556170D+00
BrCL Gurvich,1989 pt1 p213 pt2 p112.
2 tpis89 BR 1.00CL 1.00 0.00 0.00 0.00 0 115.3570000 14789.113
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9407.113
1.653291583D+04-3.578769280D+02 5.700622160D+00-2.201257188D-03 2.415146969D-06
-1.371032976D-09 3.227803420D-13 2.252619279D+03-4.155659669D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9407.113
-1.284863067D+05-1.138379626D+03 7.964040800D+00-3.438056670D-03 1.524999514D-06
-2.761469114D-10 1.694450407D-14 5.938264260D+03-1.925044389D+01
BrF Gurvich,1989 pt1 p208 pt2 p109.
2 tpis89 BR 1.00F 1.00 0.00 0.00 0.00 0 98.9024032 -58851.445
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9021.108
3.836143190D+04-5.184611970D+02 5.458327050D+00-5.656843100D-04-4.121311970D-07
7.859913480D-10-3.036161520D-13 -5.595539910D+03-4.901129500D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9021.108
3.771388470D+06-1.267493430D+04 2.080555930D+01-1.026359360D-02 3.308203590D-06
-4.903192250D-10 2.648275080D-14 7.062609720D+04-1.130253600D+02
BrF3 Gurvich,1989 pt1 p211 pt2 p110.
2 tpis89 BR 1.00F 3.00 0.00 0.00 0.00 0 136.8992096 -255600.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14711.620
1.116455127D+05-1.959424330D+03 1.526220126D+01-7.999362300D-03 6.982030260D-06
-3.242757960D-09 6.164751460D-13 -2.345341551D+04-5.522633600D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14711.620
-1.886532240D+05-8.245232970D+01 1.006180694D+01-2.477319092D-05 5.478576860D-09
-6.282655260D-13 2.910628214D-17 -3.386800370D+04-2.298937369D+01
BrF5 Gurvich,1989 pt1 p212 pt2 p111.
2 tpis89 BR 1.00F 5.00 0.00 0.00 0.00 0 174.8960160 -428800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19174.543
2.211366805D+05-4.024809220D+03 2.734900212D+01-1.832254979D-02 1.721754649D-05
-8.753508630D-09 1.860196959D-12 -3.537447670D+04-1.244296466D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19174.543
-3.757647640D+05-1.575896472D+02 1.611869838D+01-4.776497800D-05 1.059755365D-08
-1.218527723D-12 5.657535450D-17 -5.667266800D+04-5.540839310D+01
BrO Chase,1996a.
2 j 3/96 BR 1.00O 1.00 0.00 0.00 0.00 0 95.9034000 125800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9061.000
1.455431116D+04 1.225152439D+02-3.058728672D-01 2.117309202D-02-3.494261190D-05
2.622639719D-08-7.508059540D-12 1.389149932D+04 2.527867438D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9061.000
-2.392612795D+06 6.932793130D+03-2.513183892D+00 3.446544560D-03-7.569536840D-07
6.514291340D-11-1.715768736D-15 -3.084499064D+04 5.361048360D+01
OBrO Chase,1996a.
2 j 3/96 BR 1.00O 2.00 0.00 0.00 0.00 0 111.9028000 151954.526
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11394.630
3.470213230D+04-3.401341820D+02 3.932251620D+00 1.215938586D-02-1.901501702D-05
1.398631495D-08-3.992899760D-12 1.875955788D+04 6.361235180D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11394.630
-1.624504660D+05-1.453689372D+02 7.105822130D+00-4.141362070D-05 8.981833260D-09
-1.013712869D-12 4.635133140D-17 1.650075386D+04-9.111817920D+00
BrOO Chase,1996a.
2 j 3/96 BR 1.00O 2.00 0.00 0.00 0.00 0 111.9028000 108000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12850.660
-4.417619900D+04 4.959637160D+02 3.239884950D+00 5.941502110D-03-3.402696770D-06
-3.444778160D-11 4.811957950D-13 8.815221980D+03 1.607446878D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12850.660
6.172483480D+03-6.585049660D+02 7.483955330D+00-1.920530746D-04 4.226946170D-08
-4.837392610D-12 2.239741320D-16 1.460353470D+04-9.850380240D+00
BrO3 Chase,1996a.
2 j 3/96 BR 1.00O 3.00 0.00 0.00 0.00 0 127.9022000 220820.685
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13100.841
1.063901881D+05-1.501928813D+03 9.703657430D+00 8.133000760D-03-1.531857845D-05
1.199117619D-08-3.512747870D-12 3.233135990D+04-2.735125430D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13100.841
-2.822851113D+05-2.358973461D+02 1.017525279D+01-6.978451050D-05 1.535701661D-08
-1.754454950D-12 8.104100150D-17 2.401140140D+04-2.588197197D+01
Br2 Gurvich,1989 pt1 p200 pt2 p104.
2 tpis89 BR 2.00 0.00 0.00 0.00 0.00 0 159.8080000 30910.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9725.117
7.497047540D+03-2.350884557D+02 5.491934320D+00-2.227573303D-03 2.932401703D-06
-1.954889514D-09 5.312307890D-13 3.521475050D+03-1.964151570D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9725.117
-4.311698570D+06 1.111268634D+04-5.555775610D+00 3.630516590D-03-2.754164226D-07
-6.217506760D-11 7.375341620D-15 -7.036584160D+04 7.878478020D+01
BrBrO Chase,1996a.
2 j 3/96 BR 2.00O 1.00 0.00 0.00 0.00 0 175.8074000 168000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13137.498
1.617498037D+04-2.464406776D+02 5.912858450D+00 4.980354280D-03-8.099958250D-06
6.072776260D-09-1.753715313D-12 1.974012093D+04 2.009704963D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13137.498
-8.537101750D+04-6.487046070D+01 7.047159350D+00-1.843088186D-05 3.992267860D-09
-4.500687950D-13 2.055867395D-17 1.821566655D+04-3.162186125D+00
BrOBr Chase,1996a.
2 j 3/96 BR 2.00O 1.00 0.00 0.00 0.00 0 175.8074000 107639.006
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12399.058
6.405068910D+04-1.062722566D+03 9.907866290D+00-4.470492470D-03 3.913701070D-06
-1.805444867D-09 3.366132550D-13 1.642921537D+04-2.350319399D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12399.058
-9.686660250D+04-3.957395270D+01 7.029434380D+00-1.171881908D-05 2.576958549D-09
-2.941186078D-13 1.357198784D-17 1.076942321D+04-5.697779380D+00
C Hf:Douglas,1955. Moore,1970b. Gordon,1999.
3 g 7/97 C 1.00 0.00 0.00 0.00 0.00 0 12.0107000 716680.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6535.895
6.495031470D+02-9.649010860D-01 2.504675479D+00-1.281448025D-05 1.980133654D-08
-1.606144025D-11 5.314483411D-15 8.545763110D+04 4.747924288D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6535.895
-1.289136472D+05 1.719528572D+02 2.646044387D+00-3.353068950D-04 1.742092740D-07
-2.902817829D-11 1.642182385D-15 8.410597850D+04 4.130047418D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6535.895
4.432528010D+08-2.886018412D+05 7.737108320D+01-9.715281890D-03 6.649595330D-07
-2.230078776D-11 2.899388702D-16 2.355273444D+06-6.405123160D+02
C+ Moore,1970b. Gordon,1999.
3 g 6/98 C 1.00E -1.00 0.00 0.00 0.00 0 12.0101514 1809444.482
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6649.282
2.258535929D+03-1.574575687D+00 2.503637730D+00-5.202878370D-06 4.516908390D-09
-2.181431053D-12 4.495047033D-16 2.168951913D+05 4.345699505D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6649.282
1.255112551D+04-3.411874670D+01 2.543383218D+00-2.805120849D-05 9.751641970D-09
-1.736855394D-12 1.246191931D-16 2.171001786D+05 4.063913515D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6649.282
5.618135320D+05-6.047058900D+03 5.884541470D+00-7.211894530D-04 6.823484110D-08
-2.599878590D-12 3.633868358D-17 2.581370458D+05-2.280019759D+01
C- Hotop,1985. Gordon,1999.
3 g 3/98 C 1.00E 1.00 0.00 0.00 0.00 0 12.0112486 588314.236
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6218.836
4.671291530D+00-1.986169369D-03 2.500008638D+00-1.976750928D-08 2.478947477D-11
-1.610664044D-14 4.236506810D-18 7.001218550D+04 4.879570141D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6218.836
4.253175720D+00 5.778186480D-04 2.499999424D+00 2.836136231D-10-7.327253420D-14
9.478507810D-18-4.830487320D-22 7.001217170D+04 4.879624211D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6218.836
1.223289007D+01-5.196185830D-03 2.500001344D+00-1.743497251D-10 1.206609009D-14
-4.252419790D-19 5.992333270D-24 7.001221630D+04 4.879608421D+00
CBr Gurvich,1991 pt1 p157 pt2 p137.
2 tpis91 C 1.00BR 1.00 0.00 0.00 0.00 0 91.9147000 490431.816
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9615.116
4.324446880D+03-1.596366559D+02 4.857856590D+00-4.389439160D-04 4.408863630D-07
-2.281330618D-10 5.445618220D-14 5.847677250D+04 1.351169646D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9615.116
1.021862102D+06-3.243484360D+03 8.388226560D+00-2.242155508D-03 6.988355370D-07
-9.719134370D-11 4.716976240D-15 7.805924060D+04-2.518386915D+01
CBr2 Gurvich,1991 pt1 p159 pt2 p138.
2 tpis91 C 1.00BR 2.00 0.00 0.00 0.00 0 171.8187000 336623.319
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12196.819
7.248197840D+04-1.128261230D+03 9.822303380D+00-3.872748100D-03 2.904819596D-06
-1.061380159D-09 1.297474642D-13 4.437771600D+04-2.361121795D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12196.819
-7.441431410D+05 4.215427830D+02 8.796797740D+00-2.726562507D-03 1.336438546D-06
-2.304854483D-10 1.337493953D-14 3.364618140D+04-1.599565135D+01
CBr3 Gurvich,1991 pt1 p160 pt2 p139.
2 tpis91 C 1.00BR 3.00 0.00 0.00 0.00 0 251.7227000 235000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15582.455
8.563516260D+04-1.275764123D+03 1.117190031D+01 2.341705749D-03-6.540671410D-06
5.736717140D-09-1.777823046D-12 3.243215890D+04-2.766468801D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15582.455
-1.926498949D+05-1.324072178D+02 1.009808665D+01-3.895040820D-05 8.550445010D-09
-9.747493680D-13 4.494245590D-17 2.541576129D+04-1.866868947D+01
CBr4 Kudchadker,1975.
2 g 8/99 C 1.00BR 4.00 0.00 0.00 0.00 0 331.6267000 79500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20373.314
1.023083739D+05-1.735600709D+03 1.651317914D+01-3.147664747D-03 2.924135486D-07
1.360605681D-09-6.431758650D-13 1.500502543D+04-5.536476760D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20373.314
-2.059785072D+05-1.048517002D+02 1.307772550D+01-3.086857556D-05 6.775309810D-09
-7.721837540D-13 3.559218240D-17 5.615893940D+03-3.283787630D+01
CCL Hf:Kumaran,1997. Gurvich,1991 pt1 p106 pt2 p81.
2 g 8/99 C 1.00CL 1.00 0.00 0.00 0.00 0 47.4637000 432611.058
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9395.113
1.707070049D+04-1.463803497D+01 2.334108251D+00 7.202099130D-03-1.034120045D-05
7.228106700D-09-1.985123755D-12 5.123350300D+04 1.200820386D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9395.113
5.900507630D+05-2.075311460D+03 6.880017230D+00-1.294796228D-03 3.883137980D-07
-5.006981630D-11 2.218229619D-15 6.358922050D+04-1.610664472D+01
CCLBr3 Gurvich,1991 pt1 p171 pt2 p152.
2 tpis91 C 1.00CL 1.00BR 3.00 0.00 0.00 0 287.1757000 65000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19568.242
1.021596752D+05-1.746281176D+03 1.598215634D+01-1.350975234D-03-2.330039129D-06
3.201856270D-09-1.150412393D-12 1.341967771D+04-5.285079043D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19568.242
-2.282709343D+05-1.277037936D+02 1.309470658D+01-3.763326710D-05 8.264715600D-09
-9.424237560D-13 4.345940760D-17 3.930463310D+03-3.315414033D+01
CCL2 Hf:Kumaran,1997. Jacox,1994. Shin,1990.
2 g 8/99 C 1.00CL 2.00 0.00 0.00 0.00 0 82.9167000 222940.147
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11422.758
7.509623150D+04-1.034728559D+03 8.061704540D+00 1.487134213D-03-4.564817110D-06
3.954885810D-09-1.166197091D-12 3.052409293D+04-1.739691692D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11422.758
-6.437455170D+06 1.958413353D+04-1.604038625D+01 1.238833906D-02-3.013367274D-06
3.473468920D-10-1.553272793D-14 -9.961242160D+04 1.556949315D+02
CCL2Br2 Gurvich,1991 pt1 p170 pt2 p151.
2 tpis91 C 1.00CL 2.00BR 2.00 0.00 0.00 0 242.7247000 10000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18691.912
1.018495619D+05-1.740854039D+03 1.521338304D+01 1.128256510D-03-5.875405490D-06
5.659886970D-09-1.821576512D-12 6.918572190D+03-5.015385819D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18691.912
-2.553347012D+05-1.598005477D+02 1.311860930D+01-4.717443870D-05 1.036912808D-08
-1.183321687D-12 5.460612690D-17 -2.588636980D+03-3.461705319D+01
CCL3 Hf:Hudgens,1991. TRC(12/93) tuv7270.
2 n12/93 C 1.00CL 3.00 0.00 0.00 0.00 0 118.3697000 71128.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14400.000
3.414471650D+04-5.547969730D+02 6.845544390D+00 1.242006495D-02-2.036896881D-05
1.554979993D-08-4.568940110D-12 9.388568820D+03-7.143598465D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14400.000
-5.427572540D+05 6.809020620D+02 9.047723620D+00 1.324277766D-04 6.301263040D-08
-2.656639200D-11 2.105668053D-15 3.866216150D+02-1.528745849D+01
CCL3Br Gurvich,1991 pt1 p169 pt2 p150.
2 tpis91 C 1.00CL 3.00BR 1.00 0.00 0.00 0 198.2737000 -43000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17984.549
1.049668463D+05-1.793828482D+03 1.489250892D+01 2.397128310D-03-7.789615470D-06
7.016617110D-09-2.196069746D-12 9.101349310D+02-5.058348139D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17984.549
-2.772324186D+05-1.840310333D+02 1.313673812D+01-5.443910010D-05 1.197658923D-08
-1.367818632D-12 6.316164790D-17 -8.895857690D+03-3.669528209D+01
CCL4 Gurvich,1991 pt1 p111 pt2 p84.
2 tpis91 C 1.00CL 4.00 0.00 0.00 0.00 0 153.8227000 -95600.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17158.512
1.093385626D+05-1.861731846D+03 1.449632467D+01 3.949485160D-03-1.010805379D-05
8.645514170D-09-2.642368852D-12 -4.948006230D+03-5.180284750D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17158.512
-3.043078255D+05-2.168170491D+02 1.316132386D+01-6.431124890D-05 1.416482497D-08
-1.619343320D-12 7.483974350D-17 -1.512320070D+04-3.996844300D+01
CF Hf:TRC(6/88) w6950. Gurvich,1991 pt1 p74 pt2 p55.
2 tpis91 C 1.00F 1.00 0.00 0.00 0.00 0 31.0091032 242300.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9065.109
-4.582786680D+04 7.972635890D+02-1.364936319D+00 1.312359375D-02-1.457012892D-05
8.253276680D-09-1.896351845D-12 2.438259620D+04 3.248065280D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9065.109
-1.329807100D+05-1.214340891D+02 4.452413620D+00 1.293786948D-04-3.670550590D-08
6.590212390D-12-3.731261610D-16 2.815934108D+04-6.640468730D-01
CF+ Chase,1998 p579 12/70.
2 g12/99 C 1.00F 1.00E -1.00 0.00 0.00 0 31.0085546 1145564.099
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8697.499
-5.975213200D+04 9.276863650D+02-1.866581982D+00 1.384340912D-02-1.513428860D-05
8.518556340D-09-1.959577655D-12 1.323519410D+05 3.412013190D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8697.499
-8.053762780D+04-3.390275090D+02 4.708373500D+00-3.963148310D-05 2.497996218D-08
-5.236790430D-12 5.313949130D-16 1.381337068D+05-3.920514730D+00
CFBr3 Gurvich,1991 pt1 p166 pt2 p146.
2 tpis91 C 1.00F 1.00BR 3.00 0.00 0.00 0 270.7211032 -120000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18243.104
5.149244280D+04-9.364796640D+02 1.044260886D+01 1.205370047D-02-1.876290291D-05
1.344488618D-08-3.730545760D-12 -1.243246293D+04-2.363948551D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18243.104
-2.729158956D+05-3.328164650D+02 1.324822519D+01-9.927077540D-05 2.193640054D-08
-2.515424945D-12 1.165680878D-16 -1.730185479D+04-3.626818430D+01
CFCL Hf:Gurvich,1991 pt1 p135 pt2 p107. Jacox,1994.
2 g 9/99 C 1.00F 1.00CL 1.00 0.00 0.00 0 66.4621032 25845.774
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10902.382
1.541997945D+04-8.274039810D+01 2.501701822D+00 1.390738086D-02-1.895734700D-05
1.261934581D-08-3.333453820D-12 2.411755114D+03 1.331517094D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10902.382
-2.681630077D+05-2.328091539D+00 6.834633830D+00 1.565270633D-04-5.967755160D-08
9.820924460D-12-5.058897210D-16 3.017669604D+02-9.005085129D+00
CFCLBr2 Gurvich,1991 pt1 p175 pt2 p158.
2 tpis91 C 1.00F 1.00CL 1.00BR 2.00 0.00 0 226.2701032 -175000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17498.023
5.898799740D+04-1.050714861D+03 1.039349401D+01 1.273690622D-02-1.999097478D-05
1.438204230D-08-4.000130350D-12 -1.837799602D+04-2.417479131D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17498.023
-2.960811596D+05-3.531276200D+02 1.326346169D+01-1.053860298D-04 2.329085080D-08
-2.670979639D-12 1.237844667D-16 -2.387594306D+04-3.684977271D+01
CFCL2 Gurvich,1991 pt1 p138 pt2 p110.
2 tpis91 C 1.00F 1.00CL 2.00 0.00 0.00 0 101.9151032 -105000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13216.954
2.611398792D+04-3.353565900D+02 4.094673080D+00 1.960244711D-02-2.762775193D-05
1.880124302D-08-5.047410300D-12 -1.251298871D+04 6.870882561D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13216.954
-2.653118323D+05-4.469724170D+02 1.033334881D+01-1.333673368D-04 2.948755634D-08
-3.383306200D-12 1.568746348D-16 -1.393160489D+04-2.556817972D+01
CFCL2Br Gurvich,1991 pt1 p175 pt2 p157.
2 tpis91 C 1.00F 1.00CL 2.00BR 1.00 0.00 0 181.8191032 -235000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16730.573
6.529959220D+04-1.135235485D+03 1.009526872D+01 1.401380147D-02-2.191705096D-05
1.573404132D-08-4.369340340D-12 -2.504488145D+04-2.451093103D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16730.573
-3.215455050D+05-3.884129620D+02 1.328990796D+01-1.160048581D-04 2.564498787D-08
-2.941639768D-12 1.363542881D-16 -3.097421144D+04-3.871356695D+01
CFCL3 Hf:TRC(6/89) w7350. Gurvich,1991 pt1 p140 pt2 p112.
2 g 7/99 C 1.00F 1.00CL 3.00 0.00 0.00 0 137.3681032 -283700.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16063.584
7.400174000D+04-1.252282466D+03 1.001327229D+01 1.475107601D-02-2.315635251D-05
1.664207025D-08-4.622929960D-12 -3.020508601D+04-2.708387087D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16063.584
-3.450464780D+05-4.177821450D+02 1.331196736D+01-1.248759531D-04 2.761391353D-08
-3.168207640D-12 1.468834601D-16 -3.674067190D+04-4.156886057D+01
CF2 Hf:TRC(6/88) w6950. Jacox,1998.
2 g 9/99 C 1.00F 2.00 0.00 0.00 0.00 0 50.0075064 -186600.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10350.912
-3.797026270D+04 8.731800030D+02-3.460191570D+00 2.746253741D-02-3.474621900D-05
2.204470693D-08-5.621750850D-12 -2.746797157D+04 4.456778070D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10350.912
-1.086428547D+05-5.854989140D+02 7.018648950D+00 3.929186150D-04-2.603822675D-07
6.142196390D-11-4.172833260D-15 -2.152945157D+04-1.356143285D+01
CF2+ Chase,1998 p583 12/70. Jacox,1994.
2 g 9/99 C 1.00F 2.00E -1.00 0.00 0.00 0 50.0069578 949341.299
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10341.999
-2.892373827D+04 6.049354610D+02-9.721866660D-01 1.808478341D-02-1.980065782D-05
1.101640055D-08-2.500457119D-12 1.102755670D+05 3.247591470D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10341.999
-6.488966070D+04-1.064283593D+03 7.785702100D+00-3.158347626D-04 7.130804080D-08
-8.533183590D-12 4.251638820D-16 1.178446465D+05-1.819424707D+01
CF2Br2 Gurvich,1991 pt1 p166 pt2 p145.
2 tpis91 C 1.00F 2.00BR 2.00 0.00 0.00 0 209.8155064 -380000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16279.997
1.261404028D+04-2.815725114D+02 5.098032130D+00 2.502548939D-02-3.438853190D-05
2.297615553D-08-6.080161430D-12 -4.642763750D+04 3.094167118D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16279.997
-3.327669300D+05-6.184352490D+02 1.346170049D+01-1.849172548D-04 4.092591340D-08
-4.699810430D-12 2.180811799D-16 -4.715186610D+04-4.105369240D+01
CF2CL Gurvich,1991 pt1 p136 pt2 p108.
2 tpis91 C 1.00F 2.00CL 1.00 0.00 0.00 0 85.4605064 -275000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12432.273
8.914558350D+03-1.768816959D+01 1.607015025D+00 2.473626554D-02-3.270738940D-05
2.126351830D-08-5.509831110D-12 -3.427306250D+04 1.929680690D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12432.273
-2.802346654D+05-6.860314850D+02 1.051143635D+01-2.046954963D-04 4.528897180D-08
-5.200229030D-12 2.412971450D-16 -3.308179480D+04-2.874899785D+01
CF2CLBr Gurvich,1991 pt1 p173 pt2 p156.
2 tpis91 C 1.00F 2.00CL 1.00BR 1.00 0.00 0 165.3645064 -435000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15528.243
2.696699365D+04-4.678832270D+02 5.244809420D+00 2.530121349D-02-3.508443520D-05
2.354353958D-08-6.246161130D-12 -5.198382730D+04 8.532887803D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15528.243
-3.592828840D+05-6.539283590D+02 1.348831524D+01-1.956099469D-04 4.329775970D-08
-4.972644370D-12 2.307575050D-16 -5.365141170D+04-4.224913908D+01
CF2CL2 Hf:TRC(6/89) w7350.Gurvich,1991 pt1 p139 pt2 p111.
2 g 7/99 C 1.00F 2.00CL 2.00 0.00 0.00 0 120.9135064 -490800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14881.094
3.841258750D+04-6.139499820D+02 5.269667190D+00 2.574105783D-02-3.587376480D-05
2.411600130D-08-6.402236900D-12 -5.784541330D+04-1.957454856D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14881.094
-3.827448550D+05-6.933774800D+02 1.351791274D+01-2.075114435D-04 4.594021610D-08
-5.276874600D-12 2.449037044D-16 -6.021527770D+04-4.479580046D+01
CF3 Hf:TRC(6/88) w6950. Jacox,1998.
2 g 8/99 C 1.00F 3.00 0.00 0.00 0.00 0 69.0059096 -467400.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11491.470
-2.978307106D+04 7.153678830D+02-3.498185380D+00 3.595457990D-02-4.507974430D-05
2.821808450D-08-7.098047020D-12 -6.059997030D+04 4.502592640D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11491.470
-2.997305557D+05-1.046989457D+03 1.077923191D+01-3.116087076D-04 6.891351430D-08
-7.911225640D-12 3.670593020D-16 -5.425304400D+04-3.417038790D+01
CF3+ Chase,1998 p583 12/71. Jacox,1998.
2 g 9/99 C 1.00F 3.00E -1.00 0.00 0.00 0 69.0053610 423617.480
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11541.280
-3.587463540D+04 3.743506700D+02 7.787413930D-01 1.929435768D-02-1.892815770D-05
9.363908760D-09-1.885759656D-12 4.775581720D+04 2.224044005D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11541.280
-2.910919531D+04-1.996658183D+03 1.144279678D+01-5.653393040D-04 1.232297113D-07
-1.399758046D-11 6.443017950D-16 5.902345800D+04-4.080349990D+01
CF3Br Gurvich,1991 pt1 p165 pt2 p144.
2 tpis91 C 1.00F 3.00BR 1.00 0.00 0.00 0 148.9099096 -648800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14444.028
-5.439489010D+03 1.243615190D+02 9.231941950D-01 3.481044380D-02-4.549645490D-05
2.932836552D-08-7.548000360D-12 -8.023396760D+04 2.232999096D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14444.028
-3.834088510D+05-9.719093300D+02 1.372477396D+01-2.901710612D-04 6.421892200D-08
-7.375688770D-12 3.423154250D-16 -7.765306310D+04-4.717367210D+01
CF3CL Hf:TRC(6/89) w7350. Gurvich,1991 pt1 p137 pt2 p109.
2 g 7/99 C 1.00F 3.00CL 1.00 0.00 0.00 0 104.4589096 -704200.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13790.751
1.499409978D+04-1.365768572D+02 1.452912370D+00 3.404765070D-02-4.473777640D-05
2.888115112D-08-7.434171330D-12 -8.547166640D+04 1.727327095D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13790.751
-4.066042120D+05-1.022626507D+03 1.376252628D+01-3.052722979D-04 6.755966040D-08
-7.759315250D-12 3.601192290D-16 -8.410559370D+04-4.913411939D+01
CF4 Hf:TRC(12/94) w6520. Gurvich,1991 pt1 p79 pt2 p58.
2 g 7/99 C 1.00F 4.00 0.00 0.00 0.00 0 88.0043128 -933120.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12730.313
9.817458500D+03 1.163343483D+02-1.288338636D+00 3.959566910D-02-4.996244210D-05
3.125339346D-08-7.841700320D-12 -1.138502297D+05 2.938656548D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12730.313
-4.164456780D+05-1.414797167D+03 1.405124837D+01-4.199093860D-04 9.278921610D-08
-1.064575830D-11 4.937099680D-16 -1.094691149D+05-5.487105000D+01
CH Gurvich,1979 pt1 p37 pt2 p39.
3 tpis79 C 1.00H 1.00 0.00 0.00 0.00 0 13.0186400 597370.604
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8625.104
2.220590133D+04-3.405411530D+02 5.531452290D+00-5.794964260D-03 7.969554880D-06
-4.465911590D-09 9.596338320D-13 7.240783270D+04-9.107673050D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8625.104
2.060763440D+06-5.396206660D+03 7.856293850D+00-7.965907450D-04 1.764308305D-07
-1.976386267D-11 5.030429510D-16 1.062236592D+05-3.154757439D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8625.104
-8.068368690D+08 4.575450540D+05-9.843975080D+01 1.235244098D-02-8.485608570D-07
3.040410624D-11-4.400315170D-16 -3.595851590D+06 8.953477440D+02
CH+ Gurvich,1991 pt1 p38 pt2 p32.
3 tpis91 C 1.00H 1.00E -1.00 0.00 0.00 0 13.0180914 1630571.004
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8628.104
3.019607105D+04-4.618141310D+02 6.225641190D+00-7.775711800D-03 1.094489485D-05
-6.675487910D-09 1.565232409D-12 1.972491928D+05-1.431512811D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8628.104
-7.102094670D+06 1.828354883D+04-1.312691402D+01 6.191717360D-03-2.909421253D-07
-1.134243575D-10 1.105962085D-14 7.541296040D+04 1.243984829D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8628.104
-3.160070489D+08 1.436699396D+05-1.108443407D+01 1.562285754D-04 4.928498470D-08
-2.896872362D-12 4.982255990D-17 -1.013672855D+06 1.489353241D+02
CHBr3 Kudchadker,1975.
2 g 8/99 C 1.00H 1.00BR 3.00 0.00 0.00 0 252.7306400 16740.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15906.601
4.346576860D+04-4.999634420D+02 5.620222110D+00 2.079346321D-02-2.921336328D-05
2.066942448D-08-5.781220910D-12 2.627830062D+03 1.247904015D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15906.601
6.274234950D+05-3.378711100D+03 1.487852612D+01-5.932745270D-04 1.082421577D-07
-1.061012665D-11 4.319152450D-16 1.877234659D+04-5.311909650D+01
CHCL Hf:TRC(12/93) w7270.Gurvich,1991. Jacox,1998.
2 g 9/99 C 1.00H 1.00CL 1.00 0.00 0.00 0 48.4716400 297100.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10200.443
-2.699912334D+05 4.351199730D+03-2.275911813D+01 7.550621760D-02-9.071997970D-05
5.256971860D-08-1.189769182D-11 1.416862680D+04 1.520980812D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10200.443
-9.548061900D+05 2.174413794D+03 4.867645370D+00 8.321641860D-04-1.536948638D-07
1.529236537D-11-6.596159360D-16 1.880121810D+04 2.674761385D+00
CHCLBr2 Gurvich,1991 pt1 p173 pt2 p155.
2 tpis91 C 1.00H 1.00CL 1.00BR 2.00 0.00 0 208.2796400 10000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15291.236
3.815380250D+04-4.084175110D+02 4.639244020D+00 2.325990646D-02-3.222988860D-05
2.254671151D-08-6.256507740D-12 1.483809044D+03 6.175235281D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15291.236
6.042865300D+05-3.438241010D+03 1.494162631D+01-6.228427970D-04 1.153724426D-07
-1.147291377D-11 4.733482860D-16 1.822460958D+04-5.407258924D+01
CHCL2 TRC(12/93) tuvw7270.
2 n12/93 C 1.00H 1.00CL 2.00 0.00 0.00 0 83.9246400 95800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12800.000
5.638556130D+04-6.562455420D+02 6.068818020D+00 9.744122600D-03-1.275310131D-05
8.552386720D-09-2.231582700D-12 1.330447798D+04-4.533535456D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12800.000
8.849393710D+05-3.526969730D+03 1.186372153D+01-5.002376120D-04 6.133860400D-08
-1.885433405D-12-1.234221421D-16 3.071136475D+04-4.088905858D+01
CHCL2Br Gurvich,1991 pt1 p172 pt2 p154.
2 tpis91 C 1.00H 1.00CL 2.00BR 1.00 0.00 0 163.8286400 -45000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14729.895
3.294022650D+04-3.275301170D+02 3.773235240D+00 2.536466143D-02-3.472666990D-05
2.404666618D-08-6.621730930D-12 -5.425565080D+03 9.433412004D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14729.895
5.924876440D+05-3.509475610D+03 1.499349593D+01-6.433062570D-04 1.198581809D-07
-1.198476716D-11 4.969948070D-16 1.197251405D+04-5.602687781D+01
CHCL3 Gurvich,1991 pt1 p127 pt2 p98.
2 g 7/99 C 1.00H 1.00CL 3.00 0.00 0.00 0 119.3776400 -102700.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14305.494
3.395333290D+04-3.047428785D+02 2.923672263D+00 2.830547858D-02-3.712424690D-05
2.551365915D-08-6.987659550D-12 -1.235063157D+04 1.115556408D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14305.494
6.136052740D+05-3.715087170D+03 1.510777247D+01 2.362584336D-04 1.297140438D-07
-1.267494791D-11 5.259022310D-16 6.203313450D+03-5.992576539D+01
CHF Hf:TRC(6/88) w695. Jacox,1998.
2 g 8/99 C 1.00H 1.00F 1.00 0.00 0.00 0 32.0170432 108800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9981.216
-7.868585830D+04 1.300218466D+03-3.947685250D+00 2.114995848D-02-2.239962738D-05
1.283155181D-08-2.904778136D-12 5.824389720D+03 4.785453770D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9981.216
3.994085420D+06-7.962756200D+03 6.755595090D+00 4.949836570D-03-2.101763812D-06
3.348232950D-10-1.886825050D-14 6.706134940D+04-2.381240379D+01
CHFBr2 Gurvich,1991 pt1 p168 pt2 p149.
2 tpis91 C 1.00H 1.00F 1.00BR 2.00 0.00 0 191.8250432 -175000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14359.556
-1.820197980D+04 4.362249670D+02-3.733854170D-01 3.388631400D-02-4.371298530D-05
2.889569295D-08-7.683915110D-12 -2.465611586D+04 3.320478790D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14359.556
5.935751630D+05-3.742656580D+03 1.517184031D+01-7.158039030D-04 1.360636972D-07
-1.385897355D-11 5.844209110D-16 -2.347676027D+03-5.765783430D+01
CHFCL Gurvich,1991 pt1 p147 pt2 p121.
2 tpis91 C 1.00H 1.00F 1.00CL 1.00 0.00 0 67.4700432 -83144.704
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11145.955
-7.113008510D+04 1.377872745D+03-6.484617240D+00 3.890972490D-02-4.800735220D-05
3.073300019D-08-7.982853410D-12 -1.751793745D+04 6.373895867D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11145.955
6.622163580D+05-3.809007980D+03 1.223880469D+01-7.467182750D-04 1.434767850D-07
-1.475406631D-11 6.273780680D-16 1.018987746D+04-4.658365563D+01
CHFCLBr Gurvich,1991 pt1 p176 pt2 p159.
2 tpis91 C 1.00H 1.00F 1.00CL 1.00BR 1.00 0 147.3740432 -230000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13787.186
-1.959240614D+04 4.901723270D+02-1.259408503D+00 3.617708470D-02-4.654244960D-05
3.065240659D-08-8.123903600D-12 -3.139900705D+04 3.710450945D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13787.186
5.800117510D+05-3.823337850D+03 1.522809062D+01-7.373906310D-04 1.407097155D-07
-1.438245319D-11 6.083867150D-16 -8.552249900D+03-5.903677705D+01
CHFCL2 Hf:TRC(6/89) w7350. Gurvich,1991 pt1 p149 pt2 p124.
2 g 7/99 C 1.00H 1.00F 1.00CL 2.00 0.00 0 102.9230432 -284900.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13294.362
-1.734959015D+04 4.924913200D+02-1.854635884D+00 3.782786280D-02-4.863343040D-05
3.197197630D-08-8.459057990D-12 -3.788749270D+04 3.801530544D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13294.362
5.640113020D+05-3.887083300D+03 1.527760246D+01-7.576487420D-04 1.452498792D-07
-1.490796515D-11 6.328998500D-16 -1.484736185D+04-6.167535516D+01
CHF2 TRC(6/88) tuvw6950.
2 n 6/88 C 1.00H 1.00F 2.00 0.00 0.00 0 51.0154464 -238900.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10920.000
-1.469690117D+05 2.553397313D+03-1.302627630D+01 5.438128460D-02-6.713418790D-05
4.287651730D-08-1.110824216D-11 -4.179372160D+04 9.939930250D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10920.000
5.526806550D+05-3.696009170D+03 1.208610573D+01-6.498588100D-04 1.120846220D-07
-9.814147010D-12 3.349192390D-16 -9.437068420D+03-4.704416200D+01
CHF2Br Gurvich,1991 pt1 p168 pt2 p148.
2 tpis91 C 1.00H 1.00F 2.00BR 1.00 0.00 0 130.9194464 -422000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13169.504
-7.714510160D+04 1.422544046D+03-6.684393650D+00 4.738389150D-02-5.830588750D-05
3.695720470D-08-9.495485280D-12 -5.878500930D+04 6.608639090D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13169.504
5.767706840D+05-4.177716080D+03 1.550150581D+01-8.490147290D-04 1.657177491D-07
-1.727828054D-11 7.435627230D-16 -2.966147348D+04-6.349380140D+01
CHF2CL Hf:TRC(6/89) w7350. Gurvich,1991 pt1 p148 pt2 p123.
2 g 7/99 C 1.00H 1.00F 2.00CL 1.00 0.00 0 86.4684464 -482800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12367.496
-7.240579410D+04 1.365510973D+03-7.153222080D+00 4.854987970D-02-5.948781670D-05
3.750966190D-08-9.589524420D-12 -6.565932800D+04 6.657212230D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12367.496
5.629493730D+05-4.298673050D+03 1.558191398D+01-8.789278480D-04 1.720248689D-07
-1.797910869D-11 7.753391700D-16 -3.634067160D+04-6.611261480D+01
CHF3 Hf:TRC(12/89) w6880. Gurvich,1991 pt1 p97 pt2 p72.
2 g 8/99 C 1.00H 1.00F 3.00 0.00 0.00 0 70.0138496 -693300.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11566.886
-1.095132260D+05 2.042273879D+03-1.166213079D+01 5.785807770D-02-6.857135060D-05
4.212118380D-08-1.053196888D-11 -9.395470050D+04 8.935920650D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11566.886
5.685232020D+05-4.728361700D+03 1.586728516D+01-7.382348650D-04 1.970841706D-07
-2.062115571D-11 8.970599640D-16 -5.923196370D+04-7.161273220D+01
CHI3 Kudchadker,1975.
2 g 8/99 C 1.00H 1.00I 3.00 0.00 0.00 0 393.7320500 210873.600
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17156.587
5.252923590D+04-7.242166470D+02 8.018623340D+00 1.470995487D-02-2.163843469D-05
1.594571452D-08-4.601437960D-12 2.678186915D+04-8.605054840D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17156.587
6.294205430D+05-3.184061570D+03 1.479622178D+01-5.749555500D-04 1.062025541D-07
-1.052804696D-11 4.329720020D-16 4.103609800D+04-4.901357390D+01
CH2 D0(H2C-H): Ruscic,1999. Bunker,1983. Jacox,1998.
2 g 4/02 C 1.00H 2.00 0.00 0.00 0.00 0 14.0265800 390364.517
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10027.417
3.218921730D+04-2.877601815D+02 4.203583820D+00 3.455405960D-03-6.746193340D-06
7.654571640D-09-2.870328419D-12 0.000000000D+00 4.733624710D+04-2.143628603D+00
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10027.417
2.550418031D+06-7.971625390D+03 1.228924487D+01-1.699122922D-03 2.991728605D-07
-2.767007492D-11 1.051341740D-15 0.000000000D+00 9.642216890D+04-6.094739910D+01
CH2Br2 Kudchadker, 1975.
2 g 8/99 C 1.00H 2.00BR 2.00 0.00 0.00 0 173.8345800 -14770.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12614.407
4.797308010D+03 3.613859240D+02-1.819592338D+00 3.477048340D-02-4.498546180D-05
3.068623685D-08-8.434846340D-12 -4.481497060D+03 3.827123590D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12614.407
1.528284441D+06-6.673414950D+03 1.670213316D+01-1.166351237D-03 2.122634493D-07
-2.075472240D-11 8.428577700D-16 3.600706640D+04-7.448065490D+01
CH2CL Hf:TRC(12/93) w7270. Gurvich,1991 pt1 p122. Jacox,1998.
2 g12/99 C 1.00H 2.00CL 1.00 0.00 0.00 0 49.4795800 119200.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10979.920
-3.188585630D+04 6.333163210D+02-1.164065495D+00 2.160586080D-02-2.545462163D-05
1.693887757D-08-4.660078600D-12 1.020142540D+04 3.230835289D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10979.920
1.662438334D+06-6.441125720D+03 1.359753722D+01-1.140536810D-03 2.087760159D-07
-2.052347186D-11 8.375772270D-16 5.212906120D+04-6.148586271D+01
CH2CLBr Gurvich,1991 pt1 p171 pt2 p153.
2 tpis91 C 1.00H 2.00CL 1.00BR 1.00 0.00 0 129.3835800 -45000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12190.747
-1.307948755D+04 6.455860380D+02-3.577349910D+00 3.833687230D-02-4.864252050D-05
3.261622330D-08-8.852877390D-12 -9.402272530D+03 4.748806758D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12190.747
1.525016309D+06-6.823334160D+03 1.682769102D+01-1.219735119D-03 2.244964495D-07
-2.219063248D-11 9.104705130D-16 3.320239920D+04-7.637571062D+01
CH2CL2 Gurvich,1991 pt1 p125 pt2 p97.
2 tpis91 C 1.00H 2.00CL 2.00 0.00 0.00 0 84.9325800 -95000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11854.077
-2.509841179D+04 8.687667380D+02-5.094669210D+00 4.150049990D-02-5.199772150D-05
3.445944260D-08-9.270292520D-12 -1.638978840D+04 5.396890320D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11854.077
1.529279337D+06-6.976954760D+03 1.694154931D+01-1.265053995D-03 2.344766734D-07
-2.333227421D-11 9.632834730D-16 2.806318171D+04-7.949453510D+01
CH2F TRC(6/88) tuvw6950.
2 n 6/88 C 1.00H 2.00F 1.00 0.00 0.00 0 33.0249832 -31800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11129.000
-8.569712530D+04 1.392226749D+03-4.382052590D+00 2.645916948D-02-2.848145663D-05
1.732706028D-08-4.442061440D-12 -1.169444586D+04 5.049499200D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11129.000
2.535399502D+06-9.358439020D+03 1.700366206D+01-3.062919929D-03 7.612869080D-07
-9.664554980D-11 4.844768100D-15 5.228391310D+04-8.707551570D+01
CH2FBr Gurvich,1991 pt1 p167 pt2 p147.
2 tpis91 C 1.00H 2.00F 1.00BR 1.00 0.00 0 112.9289832 -215000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11622.586
-9.256109530D+04 1.811985865D+03-9.698346870D+00 5.035848670D-02-6.070272680D-05
3.878250800D-08-1.012615992D-11 -3.537509620D+04 8.140396050D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11622.586
1.539975462D+06-7.231551360D+03 1.714566439D+01-1.350184394D-03 2.538022824D-07
-2.558977386D-11 1.069310946D-15 1.509604224D+04-8.062053710D+01
CH2FCL Hf:TRC(6/89) w7350. Gurvich,1991 pt1 p147 pt2 p122.
2 g 7/99 C 1.00H 2.00F 1.00CL 1.00 0.00 0 68.4779832 -265700.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11252.357
-1.071340332D+05 2.081328396D+03-1.155723697D+01 5.441482110D-02-6.518622740D-05
4.133159880D-08-1.071935103D-11 -4.264756210D+04 9.035923547D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11252.357
1.536120418D+06-7.378939730D+03 1.725797178D+01-1.395645457D-03 2.639247747D-07
-2.675653563D-11 1.123582778D-15 9.813710460D+03-8.313642553D+01
CH2F2 Hf:TRC(12/89) w6880. Gurvich,1991 pt1 p96 pt2 p71.
2 g 8/99 C 1.00H 2.00F 2.00 0.00 0.00 0 52.0233864 -452300.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10693.327
-1.819917500D+05 3.174427890D+03-1.714256906D+01 6.411353830D-02-7.313592120D-05
4.426384160D-08-1.103877216D-11 -7.027058950D+04 1.207331926D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10693.327
1.546609496D+06-7.876883330D+03 1.768770469D+01-1.581298721D-03 3.068917255D-07
-3.183405460D-11 1.363827177D-15 -9.800135960D+03-8.907420360D+01
CH2I2 Kudchadker,1975. Kudchadker,1976.
2 g 8/99 C 1.00H 2.00I 2.00 0.00 0.00 0 267.8355200 117570.400
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13250.428
2.738133757D+04-8.972568040D+01 1.387869408D+00 2.733482611D-02-3.619408770D-05
2.539187610D-08-7.145585160D-12 1.338767276D+04 2.241870165D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13250.428
1.512892716D+06-6.442912400D+03 1.659026137D+01-1.135551520D-03 2.073750250D-07
-2.033902231D-11 8.282283700D-16 5.058219030D+04-7.125235140D+01
CH3 D0(H3C-H): Ruscic,1999. Jacox,1998.
2 g 4/02 C 1.00H 3.00 0.00 0.00 0.00 0 15.0345200 146658.040
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10366.340
-2.876188806D+04 5.093268660D+02 2.002143949D-01 1.363605829D-02-1.433989346D-05
1.013556725D-08-3.027331936D-12 0.000000000D+00 1.408271825D+04 2.022772791D+01
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10366.340
2.760802663D+06-9.336531170D+03 1.487729606D+01-1.439429774D-03 2.444477951D-07
-2.224555778D-11 8.395065760D-16 0.000000000D+00 7.481809480D+04-7.919682400D+01
CH3Br Kudchadker,1975.
2 g 8/99 C 1.00H 3.00BR 1.00 0.00 0.00 0 94.9385200 -37740.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10612.655
-7.115585770D+04 1.524705928D+03-8.230445210D+00 4.239973210D-02-4.946979890D-05
3.194433340D-08-8.531237080D-12 -1.251753591D+04 7.048127770D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10612.655
2.524874348D+06-1.011876098D+04 1.865902163D+01-1.797673690D-03 3.298520110D-07
-3.250912030D-11 1.330179925D-15 5.540576390D+04-9.778664460D+01
CH3CL Gurvich,1991 pt1 p122 pt2 p95.
2 tpis91 C 1.00H 3.00CL 1.00 0.00 0.00 0 50.4875200 -81870.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10416.144
-9.841971100D+04 1.983700841D+03-1.084512305D+01 4.777980050D-02-5.515516260D-05
3.506176140D-08-9.236103960D-12 -1.994689506D+04 8.399658331D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10416.144
2.522463305D+06-1.030115447D+04 1.882725852D+01-1.872291294D-03 3.473372860D-07
-3.458887220D-11 1.428941079D-15 5.111417410D+04-1.006571389D+02
CH3F Hf:TRC(12/89) w6880. Gurvich,1991 pt1 p93 pt2 p69.
2 g 8/99 C 1.00H 3.00F 1.00 0.00 0.00 0 34.0329232 -237700.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10135.229
-2.029821878D+05 3.447331130D+03-1.768994275D+01 5.945275800D-02-6.469528250D-05
3.859418040D-08-9.626541530D-12 -4.577926220D+04 1.228382176D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10135.229
2.561903188D+06-1.086052758D+04 1.929446920D+01-2.070973131D-03 3.929124530D-07
-3.994503420D-11 1.681447081D-15 3.563508510D+04-1.061158456D+02
CH3I Kudchadker,1975.
2 g 8/99 C 1.00H 3.00I 1.00 0.00 0.00 0 141.9389900 13765.360
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10815.834
-4.516462740D+04 1.086208429D+03-5.663176270D+00 3.683171710D-02-4.321393500D-05
2.833483666D-08-7.684383690D-12 -4.303830650D+03 5.688562690D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10815.834
2.511915982D+06-9.960289990D+03 1.856907132D+01-1.768191331D-03 3.242206260D-07
-3.192942010D-11 1.305407821D-15 6.066929950D+04-9.590777040D+01
CH2OH Hydroxymethyl Radical. Johnson,1996.
2 g11/00 C 1.00H 3.00O 1.00 0.00 0.00 0 31.0339200 -17800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11781.000
-1.560076238D+05 2.685446279D+03-1.342022420D+01 5.757139470D-02-7.284449990D-05
4.836648860D-08-1.293492601D-11 -1.596820410D+04 9.963033700D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11781.000
2.250349506D+06-8.173186060D+03 1.599639179D+01-8.704133720D-04 6.069183950D-08
4.408349460D-12-5.702309500D-16 4.645313430D+04-7.835158450D+01
CH2OH+ Hydroxymethyl Cation. Johnson,1996.
2 g11/00 C 1.00H 3.00O 1.00E -1.00 0.00 0 31.0333714 716400.000
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10149.000
-1.077080841D+05 2.252082711D+03-1.188167865D+01 4.602316960D-02-4.879736880D-05
2.876413471D-08-7.100226500D-12 7.484447770D+04 9.027928570D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10149.000
2.603333487D+06-1.009953810D+04 1.730843898D+01-6.946390320D-04 3.009715083D-08
5.221485980D-12-5.090183790D-16 1.465402426D+05-9.223955280D+01
CH3O Hf:Gurvich,1991 pt1 p67. Jacox,1998 p271.
2 g 7/00 C 1.00H 3.00O 1.00 0.00 0.00 0 31.0339200 13000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11302.050
8.657117660D+04-6.631685250D+02 2.257455672D+00 2.266283789D-02-2.970566403D-05
2.199341353D-08-6.588043380D-12 4.174102130D+03 8.174777900D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11302.050
2.101188243D+06-8.841968800D+03 1.822645731D+01-1.743485034D-03 3.340434270D-07
-3.430673160D-11 1.473897771D-15 5.309582060D+04-9.422500590D+01
CH4 Gurvich,1991 pt1 p44 pt2 p36.
2 g 8/99 C 1.00H 4.00 0.00 0.00 0.00 0 16.0424600 -74600.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10016.202
-1.766850998D+05 2.786181020D+03-1.202577850D+01 3.917619290D-02-3.619054430D-05
2.026853043D-08-4.976705490D-12 -2.331314360D+04 8.904322750D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10016.202
3.730042760D+06-1.383501485D+04 2.049107091D+01-1.961974759D-03 4.727313040D-07
-3.728814690D-11 1.623737207D-15 7.532066910D+04-1.219124889D+02
CH3OH Hf:TRC(6/87) w5030. Chen,1977.
2 g 7/00 C 1.00H 4.00O 1.00 0.00 0.00 0 32.0418600 -200940.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11435.277
-2.416642886D+05 4.032147190D+03-2.046415436D+01 6.903698070D-02-7.598932690D-05
4.598208360D-08-1.158706744D-11 -4.433261170D+04 1.400142190D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11435.277
3.411570760D+06-1.345500201D+04 2.261407623D+01-2.141029179D-03 3.730050540D-07
-3.498846390D-11 1.366073444D-15 5.636081560D+04-1.277814279D+02
CH3OOH Methyl Hydroperoxide, CH3-O-O-H. Dorofeeva,2001.
2 srd 01 C 1.00H 4.00O 2.00 0.00 0.00 0 48.0412600 -139000.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13918.692
-1.497974156D+05 2.656222273D+03-1.377060625D+01 6.588673830D-02-7.751801650D-05
4.968800700D-08-1.314367640D-11 0.000000000D+00-3.058414201D+04 1.031696850D+02
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13918.692
3.060740610D+06-1.282959627D+04 2.541021168D+01-2.394481095D-03 4.443429910D-07
-4.416659500D-11 1.819673372D-15 0.000000000D+00 5.837492360D+04-1.387713096D+02
CI Gurvich,1991 pt1 p176 pt2 p160.
2 tpis91 C 1.00I 1.00 0.00 0.00 0.00 0 138.9151700 570200.814
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9494.114
1.043011064D+05-1.715427168D+03 1.288874952D+01-1.828504834D-02 2.135468356D-05
-1.286980869D-08 3.167047660D-12 7.550784700D+04-4.496811320D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9494.114
-2.408229894D+05 3.447387040D+02 4.976968700D+00-8.444815390D-04 5.061239720D-07
-1.047700525D-10 6.740843140D-15 6.451342020D+04 1.090913159D+00
CI2 Gurvich,1991 pt1 p178 pt2 p161.
2 tpis91 C 1.00I 2.00 0.00 0.00 0.00 0 265.8196400 468393.633
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12643.133
6.028289810D+04-1.043205435D+03 1.017465942D+01-5.535671710D-03 5.630319010D-06
-3.108249657D-09 7.202469560D-13 5.964896550D+04-2.310319208D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12643.133
-7.028655530D+05 3.082750393D+02 9.046427050D+00-2.946736644D-03 1.424347233D-06
-2.453183410D-10 1.425270291D-14 5.021134210D+04-1.560349377D+01
CI3 Gurvich,1991 pt1 p178 pt2 p162.
2 g 9/99 C 1.00I 3.00 0.00 0.00 0.00 0 392.7241100 405983.951
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16831.451
8.596784250D+04-1.347703793D+03 1.272103659D+01-2.442876357D-03 2.511609978D-07
1.024658583D-09-4.872692960D-13 5.310716510D+04-3.238492900D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16831.451
-1.536511918D+05-8.357044370D+01 1.006203125D+01-2.466447336D-05 5.419054750D-09
-6.181417000D-13 2.851262022D-17 4.582589530D+04-1.494825345D+01
CI4 Kudchadker,1975. Kudchadker,1976.
2 g 8/99 C 1.00I 4.00 0.00 0.00 0.00 0 519.6285800 267943.360
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22355.550
8.919043870D+04-1.651906475D+03 1.796124325D+01-8.518114250D-03 8.508682250D-06
-4.599097730D-09 1.039492403D-12 3.689392150D+04-5.805953120D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22355.550
-1.446762770D+05-5.280365170D+01 1.303985589D+01-1.606214814D-05 3.567550470D-09
-4.105366980D-13 1.907272766D-17 2.817746618D+04-2.810414436D+01
CN Hf: Huang,1992. Gurvich,1979 pt1 p212 pt2 p210.
3 g 8/99 C 1.00N 1.00 0.00 0.00 0.00 0 26.0174000 438683.552
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8672.104
3.949148570D+03-1.391590572D+02 4.930835320D+00-6.304670510D-03 1.256836472D-05
-9.878300500D-09 2.843137221D-12 5.228455380D+04-2.763115585D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8672.104
-2.228006270D+06 5.040733390D+03-2.121897722D-01 1.354901134D-03 1.325929798D-07
-6.937006370D-11 5.494952270D-15 1.784496132D+04 3.282563919D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8672.104
-1.794798118D+08 1.054346069D+05-1.729624170D+01 2.194895530D-03-8.508938030D-08
9.318692990D-13 6.358139930D-18 -7.962594120D+05 1.913139639D+02
CN+ Gurvich,1991 pt1 p215 pt2 p203.
3 tpis91 C 1.00N 1.00E -1.00 0.00 0.00 0 26.0168514 1798890.904
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8682.104
-8.302909570D+05 8.775687500D+03-2.977443560D+01 4.976897060D-02-1.302225951D-05
-2.058325353D-08 1.126843895D-11 1.703860539D+05 2.039918818D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8682.104
-7.153463080D+06 1.857250421D+04-1.084534159D+01 6.106681430D-03-1.191208566D-06
1.184848778D-10-4.799838730D-15 9.242644960D+04 1.135340573D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8682.104
-2.354919695D+08 1.433776703D+05-2.975360271D+01 4.280545600D-03-2.707260413D-07
8.178340660D-12-9.629506200D-17 -9.229047140D+05 2.964624987D+02
CN- Gurvich,1991 pt1 p218 pt2 p205.
2 tpis91 C 1.00N 1.00E 1.00 0.00 0.00 0 26.0179486 63885.104
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8671.104
-4.606541390D+04 4.294174750D+02 2.328781880D+00-1.235303004D-04 4.478462770D-06
-4.403151290D-09 1.349001191D-12 4.362078340D+03 1.142928617D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8671.104
3.517964720D+05-1.630477359D+03 5.609875750D+00-3.975605970D-04 8.856147080D-08
-9.722872320D-12 4.434205690D-16 1.647976581D+04-1.175502699D+01
CNN Gurvich,1991 pt1 p220 pt2 p208. Jacox,1994.
2 g12/99 C 1.00N 2.00 0.00 0.00 0.00 0 40.0241000 633484.056
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10377.660
-7.357692360D+04 9.652438660D+02-1.704121157D+00 2.037239025D-02-2.183423906D-05
1.176082777D-08-2.551355221D-12 7.021729830D+04 3.528150910D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10377.660
-1.817148765D+05-6.729863490D+02 7.857948340D+00-6.136880720D-05-1.088178985D-08
4.456655810D-12-2.836496278D-16 7.723488980D+04-1.966012324D+01
CO Gurvich,1979 pt1 p25 pt2 p29.
3 tpis79 C 1.00O 1.00 0.00 0.00 0.00 0 28.0101000 -110535.196
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8671.104
1.489045326D+04-2.922285939D+02 5.724527170D+00-8.176235030D-03 1.456903469D-05
-1.087746302D-08 3.027941827D-12 -1.303131878D+04-7.859241350D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8671.104
4.619197250D+05-1.944704863D+03 5.916714180D+00-5.664282830D-04 1.398814540D-07
-1.787680361D-11 9.620935570D-16 -2.466261084D+03-1.387413108D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8671.104
8.868662960D+08-7.500377840D+05 2.495474979D+02-3.956351100D-02 3.297772080D-06
-1.318409933D-10 1.998937948D-15 5.701421130D+06-2.060704786D+03
CO+ Gurvich,1991 pt1 p26 pt2 p22.
3 tpis91 C 1.00O 1.00E -1.00 0.00 0.00 0 28.0095514 1247789.204
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8671.104
-2.178786658D+04 1.288857032D+02 3.769057550D+00-3.431730130D-03 8.193945750D-06
-6.463814690D-09 1.803727574D-12 1.482345898D+05 3.990547070D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8671.104
2.316847506D+05-1.057646148D+03 4.554257780D+00 4.495520320D-04-2.489507047D-07
5.267566420D-11-3.289510270D-15 1.555050724D+05-3.873462640D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8671.104
-3.035604054D+08 2.393118392D+05-7.034999240D+01 1.139551440D-02-8.315173100D-07
2.863705515D-11-3.803269410D-16 -1.688617704D+06 6.291980420D+02
COCL Gurvich,1991 pt1 p118 pt2 p91.
2 tpis91 C 1.00O 1.00CL 1.00 0.00 0.00 0 63.4631000 -16000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11550.749
2.513175740D+04-5.969189670D+02 8.327671350D+00-7.056132590D-03 1.313150734D-05
-1.037059653D-08 3.033665179D-12 -7.052770320D+02-1.580716775D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11550.749
3.443720240D+05-1.793143470D+03 8.392755900D+00-5.374769590D-04 9.113555710D-08
-3.111441728D-12-2.040435218D-16 6.914470150D+03-1.998919104D+01
COCL2 Gurvich,1991 pt1 p119 pt2 p92.
2 tpis91 C 1.00O 1.00CL 2.00 0.00 0.00 0 98.9161000 -219500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12878.622
9.319321450D+04-1.577971273D+03 1.208353907D+01-4.809015610D-03 7.688477320D-06
-5.858841200D-09 1.687786559D-12 -2.054252334D+04-3.834767320D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12878.622
-2.545881891D+04-1.305958516D+03 1.092922584D+01-3.601210160D-04 7.787017650D-08
-8.792452030D-12 4.028696610D-16 -2.219847340D+04-3.233303450D+01
COFCL Gurvich,1991 pt1 p146 pt2 p120.
2 tpis91 C 1.00O 1.00F 1.00CL 1.00 0.00 0 82.4615032 -429492.862
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11903.798
7.262173900D+04-1.019738175D+03 7.290911990D+00 7.420691710D-03-7.902548080D-06
4.209427650D-09-9.314412900D-13 -4.804386460D+04-1.316923671D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11903.798
-5.316887910D+04-1.581009678D+03 1.112696501D+01-4.373000800D-04 9.464190710D-08
-1.069291346D-11 4.901756640D-16 -4.599667230D+04-3.525879824D+01
COF2 Gurvich,1991 pt1 p89 pt2 p66.
2 tpis91 C 1.00O 1.00F 2.00 0.00 0.00 0 66.0069064 -640000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11133.929
5.263393150D+04-4.618603390D+02 2.774114516D+00 1.831931082D-02-2.130172554D-05
1.266924542D-08-3.101675983D-12 -7.564255100D+04 9.467181460D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11133.929
-4.073806850D+04-1.974009812D+03 1.140363654D+01-5.437111470D-04 1.175232744D-07
-1.326564192D-11 6.076772130D-16 -6.907795410D+04-4.009695000D+01
COHCL Gurvich,1991 pt1 p134 pt2 p106.
2 tpis91 C 1.00O 1.00H 1.00CL 1.00 0.00 0 64.4710400 -164211.876
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11006.282
6.332946870D+03 8.120365590D+01 1.374648391D+00 1.650970564D-02-1.692917241D-05
9.684046830D-09-2.374469390D-12 -2.120356580D+04 1.938379650D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11006.282
8.318952850D+05-4.416870840D+03 1.270661114D+01-9.361408630D-04 1.855335611D-07
-1.958378539D-11 8.512046830D-16 4.330496440D+03-5.145071542D+01
COHF Gurvich,1991 pt1 p106 pt2 p80.
2 tpis91 C 1.00O 1.00H 1.00F 1.00 0.00 0 48.0164432 -374590.361
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10449.795
-4.585828500D+04 1.048202675D+03-4.776574220D+00 3.080719931D-02-3.415895900D-05
2.034926806D-08-5.054194620D-12 -5.085983730D+04 5.232247410D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10449.795
8.578853160D+05-4.791959120D+03 1.293975218D+01-1.018285299D-03 2.021278474D-07
-2.136698091D-11 9.299588910D-16 -1.878933107D+04-5.527449140D+01
COS Gurvich,1991 pt1 p211 pt2 p200.
2 g 5/01 C 1.00O 1.00S 1.00 0.00 0.00 0 60.0751000 -141700.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9941.597
8.547876430D+04-1.319464821D+03 9.735257240D+00-6.870830960D-03 1.082331416D-05
-7.705597340D-09 2.078570344D-12 -1.191657685D+04-2.991988593D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9941.597
1.959098567D+05-1.756167688D+03 8.710430340D+00-4.139424960D-04 1.015243648D-07
-1.159609663D-11 5.691053860D-16 -8.927096690D+03-2.636328016D+01
CO2 Gurvich,1991 pt1 p27 pt2 p24.
3 g 9/99 C 1.00O 2.00 0.00 0.00 0.00 0 44.0095000 -393510.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9365.469
4.943650540D+04-6.264116010D+02 5.301725240D+00 2.503813816D-03-2.127308728D-07
-7.689988780D-10 2.849677801D-13 -4.528198460D+04-7.048279440D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9365.469
1.176962419D+05-1.788791477D+03 8.291523190D+00-9.223156780D-05 4.863676880D-09
-1.891053312D-12 6.330036590D-16 -3.908350590D+04-2.652669281D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9365.469
-1.544423287D+09 1.016847056D+06-2.561405230D+02 3.369401080D-02-2.181184337D-06
6.991420840D-11-8.842351500D-16 -8.043214510D+06 2.254177493D+03
CO2+ Gurvich,1991 pt1 p30 pt2 p26.
3 g 9/99 C 1.00O 2.00E -1.00 0.00 0.00 0 44.0089514 944687.989
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10566.089
-7.383030980D+04 1.086211742D+03-2.771112737D+00 2.318463595D-02-2.570240315D-05
1.450335497D-08-3.334470420D-12 1.071784918D+05 4.054885210D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10566.089
-1.695051682D+05-8.066469730D+02 8.002828460D+00-1.577214041D-04 2.566759314D-08
-2.404195965D-12 1.677446800D-16 1.154389478D+05-2.133567772D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10566.089
-8.365409060D+07 5.333327510D+04-5.621698360D+00 1.491439440D-03-7.553254510D-08
1.794658103D-12-1.627521598D-17 -3.111917656D+05 9.673884890D+01
COOH Gurvich,1991 pt1 p60 pt2 p46.
2 tpis91 C 1.00O 2.00H 1.00 0.00 0.00 0 45.0174400 -213000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10813.349
-1.128380671D+04 3.775179430D+02-5.992550410D-01 2.181894272D-02-2.425918417D-05
1.451245206D-08-3.596233380D-12 -2.841042565D+04 2.934561769D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10813.349
9.293188730D+05-4.483030570D+03 1.242199567D+01-7.463139640D-04 1.332996131D-07
-1.282710550D-11 5.137997900D-16 -8.518232680D+02-5.068065510D+01
CP Gurvich,1991 pt1 p231 pt2 p219.
2 tpis91 C 1.00P 1.00 0.00 0.00 0.00 0 42.9844610 520161.805
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8715.105
-4.523940110D+04 7.758828140D+02-1.453947907D+00 1.397713706D-02-1.624489706D-05
9.514083880D-09-2.210281109D-12 5.792634670D+04 3.311647920D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8715.105
-5.449937150D+06 1.688345926D+04-1.595692200D+01 1.136028761D-02-2.846541330D-06
3.379364040D-10-1.554457397D-14 -4.554517740D+04 1.451324059D+02
CS Hf:Prinslow,1991. Gurvich,1991 pt1 p206 pt2 p198.
2 g11/01 C 1.00S 1.00 0.00 0.00 0.00 0 44.0757000 278550.078
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8708.378
-4.924844120D+04 8.166968100D+02-1.542998408D+00 1.380324735D-02-1.574407905D-05
9.169714930D-09-2.169700595D-12 2.865182876D+04 3.308541327D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8708.378
-9.719574760D+05 2.339201284D+03 1.709390402D+00 1.577178949D-03-4.146335910D-07
4.504757080D-11-5.945457730D-16 1.681020727D+04 1.874048220D+01
CS2 Gurvich,1991 pt1 p209 pt2 p199.
2 g 6/95 C 1.00S 2.00 0.00 0.00 0.00 0 76.1407000 116700.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10664.223
1.613560482D+04-4.649481470D+02 6.297938790D+00 1.888896706D-03 3.031927747D-07
-1.737645373D-09 7.793989390D-13 1.477761119D+04-9.303382130D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10664.223
-1.390419724D+06 3.354975500D+03 3.019247723D+00 2.876437543D-03-9.076812720D-07
1.374091042D-10-6.999575570D-15 -1.013898046D+04 1.565113703D+01
C2 Gurvich,1991 pt1 p9 pt2 p8.
3 tpis91 C 2.00 0.00 0.00 0.00 0.00 0 24.0214000 830457.322
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10169.122
5.559634510D+05-9.980126440D+03 6.681620370D+01-1.743432724D-01 2.448523051D-04
-1.703467580D-07 4.684527730D-11 1.445869634D+05-3.448229700D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10169.122
-9.689267930D+05 3.561092990D+03-5.064138930D-01 2.945154879D-03-7.139441190D-07
8.670657250D-11-4.076906810D-15 7.681796830D+04 3.339985240D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10169.122
6.315145920D+06 1.365420661D+04-3.996903670D+00 1.937561376D-03-1.584446580D-07
5.520861660D-12-7.253735340D-17 9.387024990D+03 6.614329920D+01
C2+ Gurvich,1991 pt1 p14 pt2 p10.
3 tpis91 C 2.00E -1.00 0.00 0.00 0.00 0 24.0208514 2004775.532
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8685.104
-9.913423840D+04 1.347170609D+03-3.476753160D+00 1.676429424D-02-1.865908025D-05
1.091134647D-08-2.434913818D-12 2.335454800D+05 4.406644620D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8685.104
3.836292810D+06-6.242062450D+03 2.779245639D+00 6.065865860D-03-2.452799858D-06
3.882942500D-10-2.190639912D-14 2.857447553D+05 7.297383490D-01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8685.104
4.992689800D+07-2.017309121D+04 6.342227540D+00 6.369922600D-04-1.036760828D-07
4.943272920D-12-7.988804260D-17 4.120857610D+05-2.112967169D+01
C2- Gurvich,1991 pt1 p15 pt2 p12.
2 tpis91 C 2.00E 1.00 0.00 0.00 0.00 0 24.0219486 480766.904
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8676.104
-1.181928660D+05 1.438189710D+03-3.196131350D+00 1.465548163D-02-1.545537278D-05
9.061235610D-09-2.135962274D-12 4.965317790D+04 4.225608880D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8676.104
4.478136250D+06-1.154145714D+04 1.310143499D+01-1.862700578D-03 4.006931250D-08
3.710213600D-11-3.337266870D-15 1.325356168D+05-6.975964400D+01
C2CL Gurvich,1991 pt1 p112 pt2 p85.
2 tpis91 C 2.00CL 1.00 0.00 0.00 0.00 0 59.4744000 534083.071
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10780.626
4.725889410D+04-8.980223610D+02 9.016877150D+00-6.333782830D-03 1.087060050D-05
-8.089068920D-09 2.248275223D-12 6.702215700D+04-2.354893403D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10780.626
2.137368408D+05-1.630519518D+03 8.623490250D+00-4.253517860D-04 9.040018640D-08
-1.007541495D-11 4.570764750D-16 7.171093280D+04-2.413014598D+01
C2CL2 Hf:Manion,2002. Gurvich,1991 pt1 p114 pt2 p86.
2 g 5/02 C 2.00CL 2.00 0.00 0.00 0.00 0 94.9268000 226600.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14592.612
3.871169080D+04-9.336870730D+02 1.119377861D+01-3.746288200D-03 6.770472560D-06
-4.910388350D-09 1.299068749D-12 0.000000000D+00 2.948153198D+04-3.310724640D+01
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14592.612
2.961978472D+05-2.044286552D+03 1.187529315D+01-5.115011450D-04 1.072661556D-07
-1.183411171D-11 5.326498340D-16 0.000000000D+00 3.636799690D+04-4.000823970D+01
C2CL3 Gurvich,1991 pt1 p114 pt2 p87.
2 tpis91 C 2.00CL 3.00 0.00 0.00 0.00 0 130.3804000 190271.592
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16150.258
4.675016040D+04-8.851019640D+02 9.032270550D+00 1.242122796D-02-1.554614347D-05
9.513887120D-09-2.341473263D-12 2.495863399D+04-1.779070154D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16150.258
-2.204028219D+05-1.072926248D+03 1.378367377D+01-3.093322915D-04 6.777528950D-08
-7.727301820D-12 3.566690220D-16 2.431020015D+04-4.342161815D+01
C2CL4 Hf:Manion,2002. Gurvich,1991 pt1 p115 pt2 p88.
2 g 5/02 C 2.00CL 4.00 0.00 0.00 0.00 0 165.8322000 -24200.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19605.643
3.746258300D+04-8.481775630D+02 1.009156110D+01 1.845463613D-02-2.390899444D-05
1.514828257D-08-3.841119320D-12 0.000000000D+00-1.598288471D+03-2.368080605D+01
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19605.643
-3.001315659D+05-1.132407598D+03 1.683072470D+01-3.288792490D-04 7.220907030D-08
-8.245332690D-12 3.810112780D-16 0.000000000D+00-2.292799594D+03-5.980161160D+01
C2CL6 Hf:Manion,2002. Gurvich,1991 pt1 p117 pt2 p90.
2 g 5/02 C 2.00CL 6.00 0.00 0.00 0.00 0 236.7376000 -148200.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27129.390
1.593451813D+05-2.606697136D+03 2.028011847D+01 1.769364822D-02-3.133105185D-05
2.389395238D-08-6.893038300D-12 0.000000000D+00-9.038007640D+03-7.953073760D+01
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27129.390
-5.577386320D+05-4.976491240D+02 2.237041989D+01-1.477759098D-04 3.257546580D-08
-3.727099210D-12 1.723801704D-16 0.000000000D+00-2.335223305D+04-8.381732120D+01
C2F Gurvich,1991 pt1 p81 pt2 p59.
2 tpis91 C 2.00F 1.00 0.00 0.00 0.00 0 43.0198032 353847.482
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10367.036
1.249797213D+04-3.483876750D+02 5.755084350D+00 8.528685380D-04 2.353546435D-06
-2.804737097D-09 9.083575640D-13 4.281525310D+04-6.437200960D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10367.036
2.898776676D+05-2.016644658D+03 8.875045710D+00-5.166841130D-04 1.092094306D-07
-1.212216787D-11 5.482287680D-16 5.241287920D+04-2.773089580D+01
C2FCL Gurvich,1991 pt1 p141 pt2 p113.
2 tpis91 C 2.00F 1.00CL 1.00 0.00 0.00 0 78.4728032 33766.399
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13876.507
2.697675344D+04-7.414403180D+02 9.629604300D+00-3.865544930D-04 3.003347997D-06
-2.710191661D-09 7.737586890D-13 5.500620390D+03-2.515774889D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13876.507
3.471454890D+05-2.348461100D+03 1.206875617D+01-5.804698230D-04 1.212734340D-07
-1.334214186D-11 5.992556610D-16 1.502061224D+04-4.252445687D+01
C2FCL3 Gurvich,1991 pt1 p145 pt2 p119.
2 tpis91 C 2.00F 1.00CL 3.00 0.00 0.00 0 149.3788032 -166000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18731.914
1.237282217D+04-4.703961840D+02 7.581621790D+00 2.305727066D-02-2.792144322D-05
1.679699826D-08-4.077572440D-12 -2.031333976D+04-9.274637513D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18731.914
-2.829505545D+05-1.473853145D+03 1.707879074D+01-4.265213390D-04 9.357199850D-08
-1.067932796D-11 4.933261610D-16 -1.738433314D+04-6.197054796D+01
C2F2 Gurvich,1991 pt1 p82 pt2 p60.
2 tpis91 C 2.00F 2.00 0.00 0.00 0.00 0 62.0182064 -144665.688
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13266.419
1.776313572D+04-6.113280940D+02 8.663606800D+00 9.156381210D-04 2.363808425D-06
-2.753750054D-09 8.713935970D-13 -1.649611017D+04-2.165150307D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13266.419
4.193890940D+05-2.715359989D+03 1.230403413D+01-6.649305540D-04 1.385254301D-07
-1.520813764D-11 6.819821030D-16 -4.179221940D+03-4.670386230D+01
C2F2CL2 Gurvich,1991 pt1 p143 pt2 p115. Eql mixture of isomers.
2 tpis91 C 2.00F 2.00CL 2.00 0.00 0.00 0 132.9242064 -337837.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17936.029
-1.150433214D+05 2.032113595D+03-1.119750271D+01 8.342451400D-02-1.163698616D-04
7.833092890D-08-2.070004069D-11 -5.208256810D+04 8.888322147D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17936.029
-8.702565660D+05 7.264724480D+02 1.530689121D+01 3.045597224D-04-7.045468040D-08
8.285924340D-12-3.898581070D-16 -5.208888710D+04-4.998300753D+01
C2F3 Gurvich,1991 pt1 p83 pt2 p61.
2 tpis91 C 2.00F 3.00 0.00 0.00 0.00 0 81.0166096 -228181.093
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14163.567
-2.614775016D+04 2.101767714D+02 2.328625080D+00 2.368943293D-02-2.416431591D-05
1.224916093D-08-2.488670434D-12 -3.028566585D+04 1.699608790D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14163.567
-1.242603837D+05-2.137292446D+03 1.455051371D+01-6.093891980D-04 1.331427672D-07
-1.515124358D-11 6.984112060D-16 -1.977146179D+04-5.421039870D+01
C2F3CL Gurvich,1991 pt1 p142 pt2 p114.
2 tpis91 C 2.00F 3.00CL 1.00 0.00 0.00 0 116.4696096 -515200.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17128.149
-8.122270310D+03-1.574007092D+02 5.041810290D+00 2.621692321D-02-2.843001445D-05
1.537643979D-08-3.360730670D-12 -6.354049950D+04 2.792301872D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17128.149
-2.162724659D+05-2.195103372D+03 1.759605428D+01-6.282617290D-04 1.374166610D-07
-1.565004037D-11 7.218309900D-16 -5.515109500D+04-6.921931824D+01
C2F4 Gurvich,1991 pt1 p84 pt2 p62.
2 tpis91 C 2.00F 4.00 0.00 0.00 0.00 0 100.0150128 -659500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16330.554
-9.991530070D+03-1.291088427D+02 4.504229050D+00 2.592029640D-02-2.630308720D-05
1.316489777D-08-2.625017169D-12 -8.090447080D+04 3.274241470D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16330.554
-1.629915758D+05-2.603903955D+03 1.788488423D+01-7.397038010D-04 1.614460340D-07
-1.835820392D-11 8.457641070D-16 -7.006371660D+04-7.454165860D+01
C2F6 Gurvich,1991 pt1 p86 pt2 p64.
2 g12/99 C 2.00F 6.00 0.00 0.00 0.00 0 138.0118192 -1344000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20272.040
-3.795371700D+04 7.998276400D+02-4.671561810D+00 7.501450990D-02-9.812116100D-05
6.319807590D-08-1.622597311D-11 -1.675211878D+05 5.053759200D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20272.040
-1.011551484D+06-9.422140710D+02 2.202553906D+01-1.314518750D-04 1.866045300D-08
-3.467118610D-12 2.488311205D-16 -1.657434402D+05-9.302161150D+01
C2H Ervin, 1990. Jacox,1998. Peric,1990. Kanamori,1988.
2 g 6/01 C 2.00H 1.00 0.00 0.00 0.00 0 25.0293400 566200.482
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10448.682
1.343669487D+04-5.067970720D+02 7.772107410D+00-6.512339820D-03 1.030117855D-05
-5.880147670D-09 1.226901861D-12 6.892269990D+04-1.871881626D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10448.682
3.922334570D+06-1.204751703D+04 1.756172920D+01-3.655442940D-03 6.987685430D-07
-6.825162010D-11 2.719262793D-15 1.433266627D+05-9.561634380D+01
C2HCL Hf:Manion,2002. Gurvich,1991 pt1 p129 pt2 p99.
2 g 5/02 C 2.00H 1.00CL 1.00 0.00 0.00 0 60.4820400 226400.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11787.625
1.329785007D+05-2.174542126D+03 1.497980854D+01-1.290343389D-02 1.602596678D-05
-9.152049510D-09 2.021223607D-12 0.000000000D+00 3.604801320D+04-5.958237870D+01
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11787.625
1.152145326D+06-4.461193000D+03 1.281366744D+01-6.797346760D-04 1.151382756D-07
-1.046641954D-11 3.949860520D-16 0.000000000D+00 5.233947560D+04-5.320654570D+01
C2HCL3 Hf:Manion,2002. Gurvich,1991 pt1 p134 pt2 p105.
2 g 5/02 C 2.00H 1.00CL 3.00 0.00 0.00 0 131.3874400 -17500.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16604.624
3.959231250D+04-5.178753580D+02 5.155028770D+00 2.816922486D-02-3.624741720D-05
2.392074270D-08-6.362401960D-12 0.000000000D+00-1.534346259D+03 1.209374516D+00
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16604.624
6.049254660D+05-4.236992320D+03 1.846273557D+01-8.137195060D-04 1.551211545D-07
-1.584630634D-11 6.700932490D-16 0.000000000D+00 1.848285551D+04-7.698368760D+01
C2HF Gurvich,1991 pt1 p99 pt2 p73.
2 tpis91 C 2.00H 1.00F 1.00 0.00 0.00 0 44.0277432 41692.304
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11445.908
9.161169110D+04-1.537245636D+03 1.133665074D+01-4.624729310D-03 5.877985460D-06
-2.690992345D-09 3.524719530D-13 1.085902820D+04-4.023994380D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11445.908
1.234347179D+06-4.819581960D+03 1.302337752D+01-7.495435820D-04 1.285452942D-07
-1.184559365D-11 4.536784760D-16 3.236811710D+04-5.640791820D+01
C2HFCL2 Gurvich,1991 pt1 p155 pt2 p133. Eql mixture of isomers.
2 tpis91 C 2.00H 1.00F 1.00CL 2.00 0.00 0 114.9337432 -168648.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16259.290
3.117399823D+04-1.369505457D+02 1.176399869D+00 4.080776600D-02-5.418137800D-05
3.613600660D-08-9.625862350D-12 -2.115142871D+04 2.146433160D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16259.290
4.071243520D+05-3.808204520D+03 1.821144050D+01-7.278966060D-04 1.381532849D-07
-1.405342513D-11 5.920009720D-16 -2.676849943D+03-7.567353567D+01
C2HF2CL Gurvich,1991 pt1 p153 pt2 p129. 1,1 cis & trans in equil.
2 tpis91 C 2.00H 1.00F 2.00CL 1.00 0.00 0 98.4791464 -333654.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15262.754
1.704437675D+05-1.667236861D+03 4.788788500D+00 4.444830010D-02-7.322197770D-05
5.629347550D-08-1.654638029D-11 -3.291809760D+04-5.788593640D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15262.754
5.830374700D+05-3.810317410D+03 1.799003171D+01-5.888210860D-04 1.002861284D-07
-9.149788100D-12 3.459985160D-16 -2.205875409D+04-7.590948533D+01
C2HF3 Gurvich,1991 pt1 p105 pt2 p79.
2 tpis91 C 2.00H 1.00F 3.00 0.00 0.00 0 82.0245496 -491000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14327.512
-1.410969036D+04 3.687624920D+02-1.144797568D+00 3.956306020D-02-4.602001360D-05
2.785149385D-08-6.903760080D-12 -6.226410330D+04 3.289661690D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14327.512
6.917413780D+05-5.260301640D+03 1.915276614D+01-1.072493938D-03 2.099276744D-07
-2.195126633D-11 9.472702400D-16 -3.247640210D+04-8.750456950D+01
C2H2,acetylene Hf:TRC(10/93) w-3040. Gurvich,1991 pt1 p47 pt2 p39.
2 g 1/91 C 2.00H 2.00 0.00 0.00 0.00 0 26.0372800 228200.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10005.839
1.598112089D+05-2.216644118D+03 1.265707813D+01-7.979651080D-03 8.054992750D-06
-2.433307673D-09-7.529233180D-14 3.712619060D+04-5.244338900D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10005.839
1.713847410D+06-5.929106660D+03 1.236127943D+01 1.314186993D-04-1.362764431D-07
2.712655786D-11-1.302066204D-15 6.266578970D+04-5.818960590D+01
C2H2,vinylidene Chen,1989. Osamura,1981.
2 g 5/01 C 2.00H 2.00 0.00 0.00 0.00 0 26.0372800 414788.368
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10874.168
-1.466042239D+04 2.789475593D+02 1.276229776D+00 1.395015463D-02-1.475702649D-05
9.476298110D-09-2.567602217D-12 4.736110180D+04 1.658225704D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10874.168
1.940838725D+06-6.892718150D+03 1.339582494D+01-9.368968670D-04 1.470804368D-07
-1.220040365D-11 4.122391660D-16 9.107112930D+04-6.337502930D+01
C2H2CL2 Gurvich,1991 pt1 p130 pt2 p101. 1,1 cis & trans in equil.
2 tpis91 C 2.00H 2.00CL 2.00 0.00 0.00 0 96.9432800 3410.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14882.477
-1.203724514D+04 4.629031190D+02-1.318184584D+00 3.930449600D-02-4.851529020D-05
3.178411460D-08-8.476938410D-12 -3.251806860D+03 3.489218118D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14882.477
1.561121185D+06-7.358096350D+03 2.011869185D+01-1.310978834D-03 2.411885716D-07
-2.384166740D-11 9.785415750D-16 4.122200900D+04-9.550252712D+01
C2H2FCL Gurvich,1991 pt1 p150 pt2 p125. 1,1 cis & trans in equil.
2 tpis91 C 2.00H 2.00F 1.00CL 1.00 0.00 0 80.4886832 -165082.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13469.313
2.260154427D+05-2.557428772D+03 9.236241200D+00 2.879408894D-02-5.163975470D-05
4.252191030D-08-1.311612713D-11 -8.180627840D+03-3.234787581D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13469.313
1.527690968D+06-6.689712230D+03 1.950553830D+01-1.040920895D-03 1.780587502D-07
-1.633098515D-11 6.213465560D-16 1.705266451D+04-9.194078301D+01
C2H2F2 Gurvich,1991 pt1 p101 pt2 p75. 1,1 cis & trans in equil.
2 tpis91 C 2.00H 2.00F 2.00 0.00 0.00 0 64.0340864 -336400.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12479.683
5.702935810D+04-6.762860400D+02 4.117411710D+00 1.822618762D-02-6.861331540D-06
-3.295756740D-09 2.180965597D-12 -3.838650780D+04 1.487528685D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12479.683
-8.227192750D+05-2.915718833D+03 1.830163995D+01-1.039630129D-03 2.546725128D-07
-3.157578705D-11 1.551540960D-15 -3.110028589D+04-8.400834700D+01
CH2CO,ketene D0(H2C=CO): Ruscic,1999. Duncan,1987.
2 g 4/02 C 2.00H 2.00O 1.00 0.00 0.00 0 42.0366800 -49576.095
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11795.805
3.549598090D+04-4.063062830D+02 3.718921920D+00 1.583501817D-02-1.726195691D-05
1.157376959D-08-3.305842630D-12 0.000000000D+00-5.209992580D+03 3.839604220D+00
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11795.805
2.013564915D+06-8.200887460D+03 1.759694074D+01-1.464544521D-03 2.695886969D-07
-2.665674840D-11 1.094204522D-15 0.000000000D+00 4.177776880D+04-8.725803580D+01
O(CH)2O Glyoxal. Dorofeeva,2001. Hubner,1997. Zeleznik,2002.
2 g 3/02 C 2.00H 2.00O 2.00 0.00 0.00 0 58.0360800 -212000.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13682.443
-2.292459698D+05 3.724098050D+03-1.893769993D+01 7.511744140D-02-8.083855420D-05
4.358233190D-08-9.364539330D-12 0.000000000D+00-4.454486010D+04 1.327028760D+02
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13682.443
2.678063593D+05-4.436617480D+03 1.781696797D+01-7.097173780D-04 1.272621878D-07
-1.237226678D-11 5.025057520D-16 0.000000000D+00-4.479608280D+03-8.156700640D+01
HO(CO)2OH Oxalic Acid, HO-CO-CO-OH. Dorofeeva,2001.
2 srd 01 C 2.00H 2.00O 4.00 0.00 0.00 0 90.0348800 -731800.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17321.662
3.072513274D+04-3.916174690D+02 3.178388640D+00 3.741289750D-02-4.009753960D-05
2.288662646D-08-5.386771550D-12 0.000000000D+00-8.797942550D+04 9.751091370D+00
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17321.662
1.805560696D+06-9.240333150D+03 2.625742604D+01-1.418458557D-03 2.526840574D-07
-2.521005198D-11 1.040036111D-15 0.000000000D+00-3.754286460D+04-1.326879788D+02
C2H3,vinyl Radical. Ervin,1990.
2 g 7/01 C 2.00H 3.00 0.00 0.00 0.00 0 27.0452200 299686.817
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10521.791
-3.347896870D+04 1.064104103D+03-6.403857060D+00 3.934515480D-02-4.760046090D-05
3.170071350D-08-8.633406430D-12 3.039122649D+04 5.809226180D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10521.791
2.718080093D+06-1.030956829D+04 1.836579807D+01-1.580131153D-03 2.680594939D-07
-2.439003999D-11 9.209096390D-16 9.765055590D+04-9.760086860D+01
CH2Br-COOH Bromoacetic Acid. Dorofeeva,2001.
2 srd 01 C 2.00H 3.00BR 1.00O 2.00 0.00 0 138.9480200 -383500.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16862.437
-7.832484790D+04 1.648865353D+03-9.349533630D+00 6.879635440D-02-8.374880770D-05
5.406038420D-08-1.423159923D-11 0.000000000D+00-5.541187620D+04 8.165423200D+01
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16862.437
2.486349850D+06-1.140256346D+04 2.756020307D+01-1.843187010D-03 3.265392740D-07
-3.122663159D-11 1.223452495D-15 0.000000000D+00 1.837013127D+04-1.420040888D+02
C2H3CL Hf:Manion,2002. Gurvich,1991 pt1 p129 pt2 p100.
2 g 5/02 C 2.00H 3.00CL 1.00 0.00 0.00 0 62.4979200 22000.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11819.647
-1.688895457D+04 8.545104550D+02-6.514967550D+00 4.944681930D-02-6.117756670D-05
4.067293850D-08-1.101392611D-11 0.000000000D+00-2.069321321D+03 5.928434500D+01
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11819.647
2.456176938D+06-1.047452327D+04 2.178736181D+01-1.816891849D-03 3.296369950D-07
-3.214395690D-11 1.302254061D-15 0.000000000D+00 6.346228700D+04-1.149890578D+02
CH2CL-COOH Chloroacetic Acid. Dorofeeva,2001.
2 srd 01 C 2.00H 3.00CL 1.00O 2.00 0.00 0 94.4967200 -427600.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16513.941
-1.122506518D+05 2.168288658D+03-1.227791286D+01 7.514388250D-02-9.083158770D-05
5.812364190D-08-1.518247503D-11 0.000000000D+00-6.314314550D+04 9.694389590D+01
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16513.941
2.472883176D+06-1.152275963D+04 2.766275606D+01-1.886430963D-03 3.361776050D-07
-3.231272250D-11 1.273275883D-15 0.000000000D+00 1.370387108D+04-1.443191401D+02
C2H3F Gurvich,1991 pt1 p100 pt2 p74.
2 tpis91 C 2.00H 3.00F 1.00 0.00 0.00 0 46.0436232 -140100.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11335.928
-4.579134960D+04 1.411541724D+03-1.021500877D+01 5.775816570D-02-7.080677490D-05
4.640850760D-08-1.240455865D-11 -2.402788827D+04 7.860828390D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11335.928
2.478832340D+06-1.075932307D+04 2.194796688D+01-1.869114110D-03 3.395280670D-07
-3.315382930D-11 1.345081799D-15 4.563455550D+04-1.180410277D+02
CH3CN Acetonitrile. TRC(6/93) w9270. Koga,1984. Pavone,1990.
2 g 9/00 C 2.00H 3.00N 1.00 0.00 0.00 0 41.0519200 66430.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12093.688
-9.965988380D+04 1.739278534D+03-7.898420820D+00 4.294894320D-02-4.499973880D-05
2.717105086D-08-7.026117590D-12 -1.461161333D+03 6.852508274D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12093.688
2.923231393D+06-1.233792258D+04 2.324477222D+01-2.411565845D-03 4.622157170D-07
-4.740601240D-11 2.010639467D-15 8.058565550D+04-1.292249102D+02
CH3CO,acetyl Radical. Hf:Niiranen,1992. Nimlos,1989.
2 g 6/96 C 2.00H 3.00O 1.00 0.00 0.00 0 43.0446200 -10000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13036.467
-7.193894130D+04 1.464465167D+03-6.632276130D+00 4.108468380D-02-4.226256640D-05
2.485766819D-08-6.292558480D-12 -9.309370810D+03 6.422897620D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13036.467
2.485388150D+06-1.120714204D+04 2.277525438D+01-2.314260550D-03 4.536189170D-07
-4.742635550D-11 2.044663903D-15 6.380088410D+04-1.215350925D+02
C2H4 TRC(4/88) w2600. Chao,1975. Knippers,1985.
2 g 1/00 C 2.00H 4.00 0.00 0.00 0.00 0 28.0531600 52500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10518.689
-1.163605836D+05 2.554851510D+03-1.609746428D+01 6.625779320D-02-7.885081860D-05
5.125224820D-08-1.370340031D-11 -6.176191070D+03 1.093338343D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10518.689
3.408763670D+06-1.374847903D+04 2.365898074D+01-2.423804419D-03 4.431395660D-07
-4.352683390D-11 1.775410633D-15 8.820429380D+04-1.371278108D+02
C2H4O,ethylen-o Ethylene Oxide. Shimanouchi,1972. Chase,1998 9/65.
2 g 8/88 C 2.00H 4.00O 1.00 0.00 0.00 0 44.0525600 -52634.720
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10830.615
-1.728233345D+05 3.816678800D+03-2.629851977D+01 1.014103162D-01-1.240578373D-04
8.034040350D-08-2.120942544D-11 -2.437519333D+04 1.654885056D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10830.615
3.151809957D+06-1.423646316D+04 2.708080476D+01-2.606238456D-03 4.853891930D-07
-4.852144760D-11 2.011778721D-15 7.662561440D+04-1.563952401D+02
CH3CHO,ethanal Hf:TRC (6/78) w5300. Chao,1986.
2 g 8/88 C 2.00H 4.00O 1.00 0.00 0.00 0 44.0525600 -166190.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12896.716
-1.373904369D+05 2.559937679D+03-1.340470172D+01 5.922128620D-02-6.240006050D-05
3.703324410D-08-9.342697410D-12 -3.318731310D+04 1.007417652D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12896.716
3.321176590D+06-1.449719957D+04 2.708421279D+01-2.879320054D-03 5.556309920D-07
-5.732674880D-11 2.443965239D-15 6.507755640D+04-1.536236027D+02
CH3COOH Acetic Acid. Chao,1978.
2 g 6/00 C 2.00H 4.00O 2.00 0.00 0.00 0 60.0519600 -432249.040
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13597.391
-3.219191980D+04 1.196329795D+03-8.705824020D+00 5.696257590D-02-5.757887160D-05
3.352115220D-08-8.614438230D-12 -5.840112870D+04 7.282413920D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13597.391
2.103514223D+06-1.467822192D+04 3.382802830D+01-5.694858680D-03 1.343221353D-06
-1.606041158D-10 7.652794250D-15 2.924228407D+04-1.935278850D+02
OHCH2COOH Glycolic Acid. Dorofeeva,2001.
2 srd 01 C 2.00H 4.00O 3.00 0.00 0.00 0 76.0513600 -583000.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17007.039
-3.138978580D+05 5.693068770D+03-3.685160290D+01 1.563502811D-01-2.039487993D-04
1.340232412D-07-3.509130260D-11 0.000000000D+00-9.801640090D+04 2.269492355D+02
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17007.039
1.946628253D+06-9.804020200D+03 2.844111243D+01-7.876404750D-04 6.416275950D-08
1.069321262D-12-3.237178280D-16 0.000000000D+00-1.694650470D+04-1.474109363D+02
C2H5 Chen,1990.
2 g 7/00 C 2.00H 5.00 0.00 0.00 0.00 0 29.0611000 118658.240
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12185.226
-1.411312551D+05 2.714285088D+03-1.534977725D+01 6.451672580D-02-7.259143960D-05
4.599116010D-08-1.218367535D-11 5.981418840D+02 1.090966520D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12185.226
4.169220400D+06-1.662982142D+04 2.795442134D+01-3.051715761D-03 5.685160040D-07
-5.682863600D-11 2.355648561D-15 1.137010087D+05-1.639357995D+02
C2H5Br Bromoethane. TRC(6/79) tuvw7650.
2 n 6/79 C 2.00H 5.00BR 1.00 0.00 0.00 0 108.9651000 -63600.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13569.000
-1.374172662D+05 2.861429418D+03-1.824108956D+01 8.566230600D-02-1.047174473D-04
6.906074570D-08-1.862276022D-11 -2.198480205D+04 1.258435579D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13569.000
2.378649403D+06-1.267033647D+04 2.777558646D+01-2.010898783D-03 4.436083410D-07
-5.348198090D-11 2.639835850D-15 6.414062050D+04-1.528277085D+02
C2H6 Ethane. Pamidimukkala,1982.
2 g 7/00 C 2.00H 6.00 0.00 0.00 0.00 0 30.0690400 -83851.544
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11891.594
-1.862044161D+05 3.406191860D+03-1.951705092D+01 7.565835590D-02-8.204173220D-05
5.061135800D-08-1.319281992D-11 -2.702932890D+04 1.298140496D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11891.594
5.025782130D+06-2.033022397D+04 3.322552930D+01-3.836703410D-03 7.238405860D-07
-7.319182500D-11 3.065468699D-15 1.115963950D+05-2.039410584D+02
CH3N2CH3 Azomethane. Pamidumukkala,1982.
2 g 8/88 C 2.00H 6.00N 2.00 0.00 0.00 0 58.0824400 148699.360
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16524.999
-3.738492320D+05 5.880453130D+03-2.986398524D+01 1.087380861D-01-1.167950177D-04
6.916894890D-08-1.719950055D-11 -1.189984084D+04 1.948246321D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16524.999
4.993357090D+06-2.160996161D+04 3.964449920D+01-4.196450110D-03 8.023361980D-07
-8.212260020D-11 3.477237440D-15 1.449962610D+05-2.372109745D+02
C2H5OH Hf:TRC(6/87) w5030. Chao,1986.
2 g 8/88 C 2.00H 6.00O 1.00 0.00 0.00 0 46.0684400 -234950.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14541.926
-2.342791392D+05 4.479180550D+03-2.744817302D+01 1.088679162D-01-1.305309334D-04
8.437346400D-08-2.234559017D-11 -5.022229000D+04 1.764829211D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14541.926
4.694817650D+06-1.929798213D+04 3.447584040D+01-3.236165980D-03 5.784947720D-07
-5.564600270D-11 2.226226400D-15 8.601622710D+04-2.034801732D+02
CH3OCH3 Dimethyl ether. Hf:TRC(6/91) w6040. Chao,1986.
2 g 7/00 C 2.00H 6.00O 1.00 0.00 0.00 0 46.0684400 -184110.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14354.379
-2.693103242D+05 4.300709710D+03-2.152788028D+01 8.131833390D-02-8.295671320D-05
4.801911510D-08-1.188699808D-11 -4.410237090D+04 1.467666934D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14354.379
4.933577190D+06-2.083094065D+04 3.629050610D+01-4.108351640D-03 7.903220310D-07
-8.131435630D-11 3.458166110D-15 1.013301012D+05-2.185447466D+02
CH3O2CH3 Dimethyl peroxide, CH3-O-O-CH3. Dorofeeva,2001.
2 srd 01 C 2.00H 6.00O 2.00 0.00 0.00 0 62.0678400 -125500.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17153.436
-2.285784757D+05 3.820142570D+03-1.976647823D+01 8.840743860D-02-9.641284560D-05
5.907200830D-08-1.526491225D-11 0.000000000D+00-3.492016960D+04 1.386769151D+02
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17153.436
5.316368470D+06-2.221267874D+04 4.034335090D+01-4.612748090D-03 8.792987200D-07
-9.068221190D-11 3.865664890D-15 0.000000000D+00 1.161596028D+05-2.395296055D+02
CCN Hf:Gurvich,1991 pt1 p222. Jacox,1998 p173.
2 g 7/00 C 2.00N 1.00 0.00 0.00 0.00 0 38.0281000 804596.472
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11038.524
-1.696281385D+04 9.837891630D+01 3.812662940D+00 5.346894230D-03-2.473598508D-06
-3.730564220D-10 4.481756860D-13 9.480072570D+04 5.553165572D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11038.524
7.948674890D+04-1.344786906D+03 8.309986460D+00-2.220105361D-04 1.753683113D-08
2.545998719D-12-2.645649117D-16 1.023187495D+05-2.259793940D+01
CNC CNC radical. Gurvich,1991 pt1 p221 pt2 p209.
2 tpis91 C 2.00N 1.00 0.00 0.00 0.00 0 38.0281000 684914.559
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11356.611
-7.075192710D+04 1.007523898D+03-1.576789967D+00 2.052532634D-02-2.278935009D-05
1.283362343D-08-2.933174091D-12 7.613324850D+04 3.487094132D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11356.611
-9.031313560D+04-8.313236500D+02 8.114735950D+00-2.447691991D-04 5.397508770D-08
-6.183984860D-12 2.865172411D-16 8.451833600D+04-2.102937255D+01
OCCN Cyanooxomethyl radical. Dorofeeva,2001.
2 srd 01 C 2.00N 1.00O 1.00 0.00 0.00 0 54.0275400 210000.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13594.351
2.428801276D+04-5.525864620D+02 8.587838170D+00-3.379387770D-03 1.119841826D-05
-1.008408077D-08 3.086448824D-12 0.000000000D+00 2.599620072D+04-1.659592359D+01
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13594.351
9.359131680D+05-4.441082290D+03 1.368959297D+01-1.647530917D-03 3.819873440D-07
-3.945161000D-11 1.509598839D-15 0.000000000D+00 4.951222780D+04-5.417089680D+01
C2N2 Gurvich,1979 pt1 p195 pt2 p220.
2 tpis79 C 2.00N 2.00 0.00 0.00 0.00 0 52.0348000 309100.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12715.153
1.082404484D+05-1.928137871D+03 1.553891898D+01-1.821159329D-02 2.778840840D-05
-1.899434373D-08 4.949677720D-12 4.449097590D+04-6.090964741D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12715.153
7.934423720D+05-3.997376270D+03 1.314497430D+01-8.747782000D-04 2.059156733D-07
-2.200469389D-11 9.974485770D-16 5.863632300D+04-5.473201251D+01
C2O Hf:Gurvich,1991 pt1 p31. Jacox,1998.
2 g 8/00 C 2.00O 1.00 0.00 0.00 0.00 0 40.0208000 291038.666
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10485.718
-3.959929420D+03-1.117516348D+02 4.593960060D+00 3.710602020D-03-7.014760180D-07
-1.371129839D-09 7.123854000D-13 3.410109740D+04 4.622805600D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10485.718
-6.348056590D+05 1.184133091D+03 4.879173340D+00 1.757538773D-03-3.957552270D-07
3.989179940D-11-1.546043135D-15 2.489803938D+04 9.809040590D-01
C2S2 TRC(6/01) p8150, tuvw-8150.
2 n 6/01 C 2.00S 2.00 0.00 0.00 0.00 0 88.1514000 376660.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13760.000
4.192544750D+04-9.776562320D+02 1.085003376D+01-4.423407890D-03 1.067980519D-05
-8.781148100D-09 2.538862361D-12 4.789590500D+04-3.097681854D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13760.000
8.629908790D+05-4.325413740D+03 1.460010162D+01-1.460638433D-03 2.778253364D-07
-2.755649209D-11 1.105350739D-15 6.839748750D+04-5.986379853D+01
C3 Gurvich,1979 pt2 p23.
3 tpis79 C 3.00 0.00 0.00 0.00 0.00 0 36.0321000 839948.646
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12109.146
-4.354614480D+04 6.660183220D+02 1.451033157D+00 7.434513120D-03-3.810152990D-06
-2.336961396D-11 4.407054530D-13 9.635170200D+04 2.025173297D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12109.146
4.508098930D+06-1.461033761D+04 2.281974644D+01-8.544340610D-03 2.146069341D-06
-2.103867761D-10 6.351589060D-15 1.911976065D+05-1.271869723D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12109.146
1.539589859D+08-2.089057498D+05 7.681111210D+01-8.939056190D-03 5.594033240D-07
-1.743774353D-11 2.181541208D-16 1.650801763D+06-6.081693320D+02
C3H3,1-propynl TRC(4/98) tuvw3140.
2 n 4/98 C 3.00H 3.00 0.00 0.00 0.00 0 39.0559200 450000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12400.000
-6.505859350D+04 1.350858921D+03-5.825433930D+00 3.756610480D-02-3.734903340D-05
2.117676603D-08-5.139113250D-12 4.656510530D+04 5.781477550D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12400.000
4.550654870D+06-1.640574172D+04 2.712605991D+01-4.474600380D-03 1.037712415D-06
-1.250211369D-10 6.026582050D-15 1.534087662D+05-1.565931809D+02
C3H3,2-propynl TRC(4/98) tuvw3140.
2 n 4/98 C 3.00H 3.00 0.00 0.00 0.00 0 39.0559200 331800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13230.000
6.188578320D+04-8.909578670D+02 6.347558820D+00 1.633173115D-02-1.949975695D-05
1.417349778D-08-4.199866320D-12 4.271785830D+04-1.231400729D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13230.000
2.989723833D+06-1.118954446D+04 2.222225052D+01-2.068106902D-03 4.121883640D-07
-4.438980590D-11 1.970824701D-15 1.061878289D+05-1.186744583D+02
C3H4,allene TRC(4/84) w2750. Shimanouchi,1972 p115. Butcher,1973a.
2 g 2/00 C 3.00H 4.00 0.00 0.00 0.00 0 40.0638600 190920.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12604.569
-1.645155745D+04 9.629457810D+02-7.532326680D+00 5.518219110D-02-6.733585120D-05
4.532709050D-08-1.251837614D-11 1.772494269D+04 6.151969760D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12604.569
3.479355100D+06-1.430412453D+04 2.702534756D+01-2.557412369D-03 4.706646750D-07
-4.651688070D-11 1.908219044D-15 1.072312354D+05-1.548846158D+02
C3H4,propyne Hf:TRC(10/93) w3040. Trambarulo,1950. Shimanouchi,1972.
2 g 1/00 C 3.00H 4.00 0.00 0.00 0.00 0 40.0638600 184900.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13030.516
-3.563884400D+04 8.328139100D+02-4.073759440D+00 4.113929610D-02-4.470444950D-05
2.847458197D-08-7.695298240D-12 1.710206236D+04 4.516720950D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13030.516
3.710441420D+06-1.489145507D+04 2.732397127D+01-2.645264770D-03 4.858300350D-07
-4.794128480D-11 1.964338121D-15 1.104898462D+05-1.567992462D+02
C3H4,cyclo- Dorofeeva,1986.
2 g 5/90 C 3.00H 4.00 0.00 0.00 0.00 0 40.0638600 277100.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11373.663
-1.969520627D+04 1.505379338D+03-1.418206573D+01 7.642632960D-02-9.765583660D-05
6.612003820D-08-1.811251145D-11 2.625631782D+04 9.604631890D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11373.663
3.168399580D+06-1.371044699D+04 2.664303646D+01-2.420408050D-03 4.427994130D-07
-4.351820200D-11 1.775948955D-15 1.133683702D+05-1.522619086D+02
C3H5,allyl Radical. Burcat,2001 p58.
2 g 3/01 C 3.00H 5.00 0.00 0.00 0.00 0 41.0718000 163594.400
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12738.723
-4.315996140D+04 1.441600907D+03-1.197014426D+01 7.319796460D-02-9.066357850D-05
6.077059450D-08-1.658826363D-11 1.232157460D+04 8.563173240D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12738.723
4.094570590D+06-1.676676186D+04 3.123006342D+01-2.885449982D-03 5.211343540D-07
-5.058284220D-11 2.039932554D-15 1.185720481D+05-1.823070197D+02
C3H6,propylene Hf:TRC(4/88) w2600. Chao,1975.
2 g 2/00 C 3.00H 6.00 0.00 0.00 0.00 0 42.0797400 20000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13550.558
-1.912462174D+05 3.542074240D+03-2.114878626D+01 8.901484790D-02-1.001429154D-04
6.267959390D-08-1.637870781D-11 -1.529961824D+04 1.407641382D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13550.558
5.017620340D+06-2.086084035D+04 3.644156340D+01-3.881191170D-03 7.278677190D-07
-7.321204500D-11 3.052176369D-15 1.261245355D+05-2.195715757D+02
C3H6,cyclo- Dorofeeva,1986. Butcher,1973b.
2 g 1/00 C 3.00H 6.00 0.00 0.00 0.00 0 42.0797400 53300.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11409.981
-1.565787770D+05 4.111129870D+03-3.233447460D+01 1.306337881D-01-1.645563833D-04
1.095708326D-07-2.956394783D-11 -1.245271686D+04 1.931559109D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11409.981
4.785000670D+06-2.042118175D+04 3.631495780D+01-3.561319440D-03 6.476241240D-07
-6.328430100D-11 2.568705857D-15 1.268274126D+05-2.223729099D+02
C3H6O,propylox TRC(6/84) w6150. Swalen,1957. Oetting,1964. Villarreal,1975.
2 g 6/01 C 3.00H 6.00O 1.00 0.00 0.00 0 58.0791400 -93720.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14405.453
-2.292808804D+05 4.495750540D+03-2.941117945D+01 1.213113827D-01-1.440060464D-04
9.202051750D-08-2.416278343D-11 -3.317697210D+04 1.846878218D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14405.453
4.789729990D+06-2.106895971D+04 3.954647730D+01-3.910929980D-03 7.325531510D-07
-7.357085970D-11 3.060618500D-15 1.120344540D+05-2.372004192D+02
C3H6O,acetone Chao,1986. Chao,1976.
2 g 6/97 C 3.00H 6.00O 1.00 0.00 0.00 0 58.0791400 -217149.600
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16193.193
-2.277802525D+05 4.215280010D+03-2.415785316D+01 9.907483320D-02-1.084940903D-04
6.583355960D-08-1.676046146D-11 -4.726243940D+04 1.607926432D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16193.193
5.001601920D+06-2.170155542D+04 3.964493990D+01-4.179945050D-03 7.962429530D-07
-8.122558050D-11 3.428780960D-15 1.015145028D+05-2.368533477D+02
C3H6O,propanal Hf:TRC(6/78) w5300. Chao,1986. Frankiss,1974.
2 g 1/02 C 3.00H 6.00O 1.00 0.00 0.00 0 58.0791400 -186000.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17327.276
-2.655781702D+05 4.250640450D+03-2.109249262D+01 9.194256120D-02-1.004653044D-04
6.133314820D-08-1.576298535D-11 0.000000000D+00-4.450371050D+04 1.456678605D+02
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17327.276
4.830933490D+06-2.075451152D+04 3.924855180D+01-4.095514000D-03 7.881692160D-07
-8.107684080D-11 3.437105430D-15 0.000000000D+00 9.944937880D+04-2.316690627D+02
C3H7,n-propyl Radical. Tsang,1985.
2 g 7/01 C 3.00H 7.00 0.00 0.00 0.00 0 43.0876800 100500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14860.058
-1.895337073D+05 3.949517260D+03-2.606216089D+01 1.121920441D-01-1.365292213D-04
9.023662720D-08-2.441056990D-11 -7.227877440D+03 1.673705556D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14860.058
5.646512940D+06-2.291087136D+04 3.987275180D+01-4.106232870D-03 7.562557770D-07
-7.478263020D-11 3.068983677D-15 1.483006853D+05-2.403781190D+02
C3H7,i-propyl Radical. Tsang,1985.
2 g 9/85 C 3.00H 7.00 0.00 0.00 0.00 0 43.0876800 93300.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14807.207
-2.952063445D+05 5.294432300D+03-3.105287013D+01 1.143871563D-01-1.291752393D-04
8.057843760D-08-2.093908432D-11 -1.476815514D+04 1.988082360D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14807.207
5.807002520D+06-2.411219997D+04 4.085288400D+01-4.517851330D-03 8.499427170D-07
-8.573514340D-11 3.583383960D-15 1.546504050D+05-2.487098372D+02
C3H8 Hf:TRC(10/85) w1350. Chao,1973.
2 g 2/00 C 3.00H 8.00 0.00 0.00 0.00 0 44.0956200 -104680.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14741.218
-2.433144337D+05 4.656270810D+03-2.939466091D+01 1.188952745D-01-1.376308269D-04
8.814823910D-08-2.342987994D-11 -3.540335270D+04 1.841749277D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14741.218
6.420731680D+06-2.659791134D+04 4.534356840D+01-5.020663920D-03 9.471216940D-07
-9.575405230D-11 4.009672880D-15 1.455582459D+05-2.818374734D+02
C3H8O,1propanol Hf:TRC(6/87) w5030. Chao,1986.
2 g 2/00 C 3.00H 8.00O 1.00 0.00 0.00 0 60.0950200 -255200.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17518.759
-2.616973337D+05 5.192376660D+03-3.296481160D+01 1.354568128D-01-1.593156164D-04
1.019498160D-07-2.688552974D-11 -5.612854350D+04 2.085024431D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17518.759
6.308672120D+06-2.642210376D+04 4.715112590D+01-4.642511930D-03 8.593465360D-07
-8.682091820D-11 3.642224010D-15 1.255003155D+05-2.859463804D+02
C3H8O,2propanol Hf:TRC(6/87) w5030. Chao,1986.
2 g 2/00 C 3.00H 8.00O 1.00 0.00 0.00 0 60.0950200 -272700.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17264.775
-3.386510240D+05 6.106048000D+03-3.791418040D+01 1.530494531D-01-1.864354461D-04
1.213257738D-07-3.220433490D-11 -6.279959350D+04 2.334322610D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17264.775
6.001074750D+06-2.505876830D+04 4.622096120D+01-4.272466310D-03 7.693678770D-07
-7.450584840D-11 2.998959935D-15 1.148518732D+05-2.796132222D+02
CNCOCN Oxopropanedinitrile, NC-CO-CN. Dorofeeva,2001.
2 srd 01 C 3.00N 2.00O 1.00 0.00 0.00 0 80.0449800 247500.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17147.758
1.131052075D+05-1.978834961D+03 1.626886206D+01-8.330803440D-03 1.884127045D-05
-1.530681289D-08 4.418125300D-12 0.000000000D+00 3.680261740D+04-5.963327280D+01
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17147.758
7.000522440D+05-5.086002010D+03 1.946753490D+01-1.302852727D-03 2.753600750D-07
-3.056290852D-11 1.382140838D-15 0.000000000D+00 5.539338880D+04-8.627550860D+01
C3OS TRC(6/01) p8150, tuvw-8150.
2 n 6/01 C 3.00O 1.00S 1.00 0.00 0.00 0 84.0965000 157330.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15720.000
1.173396837D+05-2.154246274D+03 1.739096818D+01-1.606951508D-02 2.815913738D-05
-2.144517776D-08 6.117883960D-12 2.690975728D+04-6.715503804D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15720.000
4.650964090D+05-3.653583100D+03 1.589374854D+01-7.274431680D-04 1.507932631D-07
-1.250975180D-11 2.879103391D-16 3.664221650D+04-6.509079314D+01
C3O2 Hf:Chase,1998 p690 6/68. Shimanouchi,1977 p1083.
2 g 7/88 C 3.00O 2.00 0.00 0.00 0.00 0 68.0309000 -93638.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15084.983
1.579873382D+05-2.529493506D+03 1.801761578D+01-1.786032042D-02 2.978671986D-05
-2.182900022D-08 6.013797220D-12 -1.121054014D+03-7.277721170D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15084.983
6.968699890D+05-4.624733190D+03 1.663905725D+01-1.175486554D-03 2.478106444D-07
-2.745165984D-11 1.239566766D-15 1.252580069D+04-7.275968780D+01
C3S2 TRC(6/01) p8150, tuvw-8150.
2 n 6/01 C 3.00S 2.00 0.00 0.00 0.00 0 100.1621000 412500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15990.000
9.328308590D+04-1.860679192D+03 1.613667767D+01-1.172634768D-02 2.228897169D-05
-1.808702234D-08 5.421828530D-12 5.607264740D+04-6.032261795D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15990.000
2.718212835D+05-2.941949284D+03 1.559075626D+01-8.093965740D-04 1.739434000D-07
-1.932034262D-11 8.570339980D-16 6.274672550D+04-6.207028885D+01
C4 Gurvich,1991 pt1 p18 pt2 p16.
3 g tpis C 4.00 0.00 0.00 0.00 0.00 0 48.0428000 1033903.742
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13117.742
3.903780500D+04-8.948280780D+02 1.050952925D+01-6.552894460D-03 1.243940464D-05
-8.645341370D-09 2.263638846D-12 1.266425869D+05-3.077594475D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13117.742
9.200685130D+05-1.530311800D+03 6.050069200D+00 5.252743670D-03-1.779154772D-06
2.589873632D-10-1.385553481D-14 1.334389611D+05-7.261148820D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13117.742
-2.864752103D+07 1.765535487D+04 6.166598280D+00 8.098789030D-04-6.653483810D-08
2.504726897D-12-3.585724180D-17 -2.082319291D+04 4.331258920D+00
C4H2,butadiyne 1,3-Butadiyne. Dorofeeva,1991.
2 g 7/01 C 4.00H 2.00 0.00 0.00 0.00 0 50.0586800 450000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14393.860
2.467542569D+05-3.897855640D+03 2.366080456D+01-2.208077805D-02 2.781101140D-05
-1.577340010D-08 3.423165460D-12 7.086907820D+04-1.109173560D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14393.860
2.328179913D+06-8.925186090D+03 2.114326883D+01-1.368871276D-03 2.327503159D-07
-2.124517624D-11 8.053313020D-16 1.057788416D+05-1.088313574D+02
C4H4,1,3-cyclo- 1,3-Cyclobutadiene. Dorofeeva,1986.
2 g 8/00 C 4.00H 4.00 0.00 0.00 0.00 0 52.0745600 385000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12103.534
-2.778428049D+04 1.768176915D+03-1.757895171D+01 9.383512920D-02-1.195524281D-04
7.978086190D-08-2.152751100D-11 3.811627120D+04 1.128478124D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12103.534
2.991498949D+06-1.416781502D+04 3.001978876D+01-2.579200423D-03 4.789990450D-07
-4.775329710D-11 1.974923662D-15 1.274666920D+05-1.727532057D+02
C4H6,butadiene 1,3-butadiene. TRC(10/92) tuvw2820.
2 n10/92 C 4.00H 6.00 0.00 0.00 0.00 0 54.0904400 110000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15130.000
-9.181130530D+04 3.312570530D+03-2.985828611D+01 1.479201147D-01-2.056618326D-04
1.466496826D-07-4.145285730D-11 -2.077309444D+03 1.780687329D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15130.000
-2.361903188D+07 5.651323370D+04-3.275738320D+01 2.293070572D-02-2.297106441D-06
4.292596210D-11 4.236766040D-15 -3.671358620D+05 3.013437302D+02
C4H6,1butyne TRC(10/93) tuvw3040.
2 n10/93 C 4.00H 6.00 0.00 0.00 0.00 0 54.0904400 165200.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16020.000
-5.597039970D+04 1.433191711D+03-9.691210720D+00 7.150002390D-02-8.157967800D-05
5.290364970D-08-1.435655372D-11 1.184987013D+04 7.660225360D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16020.000
6.364402700D+06-2.392087731D+04 4.073750410D+01-3.176726490D-03 1.199856984D-07
3.201802510D-11-2.854392633D-15 1.634335546D+05-2.460284791D+02
C4H6,2butyne TRC(10/93) tuvw3040.
2 n10/93 C 4.00H 6.00 0.00 0.00 0.00 0 54.0904400 145700.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16640.000
-2.650756405D+05 4.490728690D+03-2.400723889D+01 9.819579550D-02-1.079717182D-04
6.675555770D-08-1.740766886D-11 -5.328363710D+03 1.595035268D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16640.000
3.981304330D+06-1.873032899D+04 3.654561490D+01-2.369686378D-03 3.990211810D-07
-3.698707270D-11 1.442072006D-15 1.261460214D+05-2.155866205D+02
C4H6,cyclo- Cyclobutene. Dorofeeva,1986.
2 g 8/00 C 4.00H 6.00 0.00 0.00 0.00 0 54.0904400 156700.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12557.564
-2.046707734D+05 4.919470570D+03-3.753278160D+01 1.497293031D-01-1.860139375D-04
1.219909019D-07-3.254073590D-11 -3.915950540D+03 2.233282138D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12557.564
4.517367820D+06-2.097311985D+04 4.008039170D+01-3.949793980D-03 7.448484990D-07
-7.529754170D-11 3.153253502D-15 1.406469848D+05-2.434836999D+02
C4H8,1-butene TRC(4/88) tuvw2600.
2 n 4/88 C 4.00H 8.00 0.00 0.00 0.00 0 56.1063200 -540.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17120.000
-2.721492014D+05 5.100079250D+03-3.183786250D+01 1.317754442D-01-1.527359339D-04
9.714761110D-08-2.560204470D-11 -2.523096386D+04 2.006932108D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17120.000
6.257948610D+06-2.660376305D+04 4.764920050D+01-4.383267110D-03 7.128838440D-07
-5.991020840D-11 2.051753504D-15 1.569252657D+05-2.913869761D+02
C4H8,cis2-buten Cis2-butene TRC(4/88) tuvw2600.
2 n 4/88 C 4.00H 8.00 0.00 0.00 0.00 0 56.1063200 -7400.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16800.000
-2.773870877D+05 5.382384040D+03-3.375188100D+01 1.322980623D-01-1.490975922D-04
9.277722000D-08-2.408282948D-11 -2.715884347D+04 2.114462085D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16800.000
6.461018350D+06-2.775376432D+04 4.863532360D+01-4.862386350D-03 8.412626100D-07
-7.633890370D-11 2.861702826D-15 1.630856187D+05-3.003105998D+02
C4H8,tr2-butene TRC(4/88) tuvw-2600.
2 n 4/88 C 4.00H 8.00 0.00 0.00 0.00 0 56.1063200 -11000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17510.000
-3.594644110D+05 5.930972080D+03-3.255825290D+01 1.254957780D-01-1.374705365D-04
8.407341350D-08-2.163047345D-11 -3.113296523D+04 2.070081219D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17510.000
6.444758090D+06-2.750706151D+04 4.870329380D+01-4.952445460D-03 8.700135910D-07
-8.017471710D-11 3.052575093D-15 1.612137505D+05-3.004419156D+02
C4H8,isobutene TRC(4/88) tuvw2600.
2 n 4/88 C 4.00H 8.00 0.00 0.00 0.00 0 56.1063200 -17100.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17010.000
-2.327205032D+05 3.941994240D+03-2.224581184D+01 1.012790864D-01-1.073194065D-04
6.454696910D-08-1.646330345D-11 -2.233766063D+04 1.479597621D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17010.000
6.484970990D+06-2.732504764D+04 4.836321080D+01-4.768004050D-03 8.233875840D-07
-7.449253000D-11 2.782303056D-15 1.595941773D+05-2.982986237D+02
C4H8,cyclo- Cyclobutane. Dorofeeva,1986.
2 g 8/00 C 4.00H 8.00 0.00 0.00 0.00 0 56.1063200 28400.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13534.163
-3.047655983D+05 6.519482730D+03-4.662987590D+01 1.743593052D-01-2.090964176D-04
1.343528679D-07-3.542727400D-11 -2.700031171D+04 2.738348195D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13534.163
4.456213810D+06-2.301018492D+04 4.492448460D+01-3.080145176D-03 5.317165260D-07
-5.081079380D-11 2.048919092D-15 1.355487603D+05-2.771801965D+02
(CH3COOH)2 Acetic acid dimer. Chao,1978.
2 g10/00 C 4.00H 8.00O 4.00 0.00 0.00 0 120.1039200 -929015.360
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 28053.169
-3.094720023D+05 5.983338600D+03-3.573002920D+01 1.662525587D-01-1.883866300D-04
1.154939386D-07-2.935166753D-11 -1.421493469D+05 2.295855147D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 28053.169
6.571327590D+06-3.036870720D+04 6.250376670D+01-5.732624710D-03 1.083461635D-06
-1.097963590D-10 4.609263380D-15 6.347426600D+04-3.734555070D+02
C4H9,n-butyl TRC(10/84) tuvw1940.
2 n10/84 C 4.00H 9.00 0.00 0.00 0.00 0 57.1142600 66530.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19797.000
-2.239560407D+05 4.676554100D+03-2.985424449D+01 1.345493704D-01-1.600660350D-04
1.045338096D-07-2.812951048D-11 -1.525297704D+04 1.901651559D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19797.000
7.198686940D+06-2.959241524D+04 5.242042810D+01-5.441572440D-03 9.917758370D-07
-9.464455870D-11 3.729487040D-15 1.834566472D+05-3.214209170D+02
C4H9,i-butyl 2-methylpropyl. TRC(10/84) tuvw1940.
2 n10/84 C 4.00H 9.00 0.00 0.00 0.00 0 57.1142600 57320.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18317.000
-2.399461281D+05 4.697444540D+03-3.087472560D+01 1.391655831D-01-1.670233968D-04
1.092423088D-07-2.936209962D-11 -1.638151036D+04 1.936662372D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18317.000
6.752936060D+06-2.837423721D+04 5.140687610D+01-4.982399010D-03 8.801506630D-07
-8.125738690D-11 3.099140009D-15 1.743448480D+05-3.149940745D+02
C4H9,s-butyl 1-methylpropyl radical. Tsang,1985.
2 g 1/93 C 4.00H 9.00 0.00 0.00 0.00 0 57.1142600 71000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17537.649
-3.351062890D+05 6.312945950D+03-4.003025260D+01 1.563875047D-01-1.842331788D-04
1.182727848D-07-3.131156589D-11 -2.216045659D+04 2.481295714D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17537.649
7.224744350D+06-3.035291099D+04 5.288551830D+01-5.652083550D-03 1.060032692D-06
-1.066129835D-10 4.443810960D-15 1.883494279D+05-3.255719880D+02
C4H9,t-butyl 1,1dimethylethyl radical. Tsang,1985.
2 g 1/93 C 4.00H 9.00 0.00 0.00 0.00 0 57.1142600 51700.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17009.675
-4.723461950D+05 8.090198770D+03-4.683675340D+01 1.575300095D-01-1.686559436D-04
9.981040130D-08-2.487608823D-11 -3.319367410D+04 2.894838706D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17009.675
7.151064950D+06-3.171224410D+04 5.442510320D+01-6.392331160D-03 1.241097612D-06
-1.287248300D-10 5.512618740D-15 1.934506997D+05-3.399325290D+02
C4H10,n-butane Hf:TRC(10/85) w1350. Chen,1975.
2 g12/00 C 4.00H 10.00 0.00 0.00 0.00 0 58.1222000 -125790.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19228.685
-3.175872540D+05 6.176331820D+03-3.891562120D+01 1.584654284D-01-1.860050159D-04
1.199676349D-07-3.201670550D-11 -4.540363390D+04 2.379488665D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19228.685
7.682322450D+06-3.256051510D+04 5.736732750D+01-6.197916810D-03 1.180186048D-06
-1.221893698D-10 5.250635250D-15 1.774526560D+05-3.587918760D+02
C4H10,isobutane TRC(10/85) w1350. Chen,1975.
2 g 8/00 C 4.00H 10.00 0.00 0.00 0.00 0 58.1222000 -134990.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17936.500
-3.834469330D+05 7.000039640D+03-4.440026900D+01 1.746183447D-01-2.078195348D-04
1.339792433D-07-3.551681630D-11 -5.034018890D+04 2.658966497D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17936.500
7.528018920D+06-3.202517060D+04 5.700161000D+01-6.060013090D-03 1.143975809D-06
-1.157061835D-10 4.846042910D-15 1.728500802D+05-3.576176890D+02
C4N2 Hf:TRC(12/93) w8992. Khanna,1987. Brown,1989.
2 g 6/01 C 4.00N 2.00 0.00 0.00 0.00 0 76.0562000 529200.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17799.401
1.587802866D+05-2.987184206D+03 2.348081602D+01-2.607502448D-02 4.042830030D-05
-2.804912444D-08 7.397652050D-12 7.505299470D+04-1.017578250D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17799.401
1.167686152D+06-6.198644180D+03 2.062070093D+01-1.518619449D-03 3.162361680D-07
-3.469922800D-11 1.555154128D-15 9.667409390D+04-9.669734738D+01
C5 Gurvich,1991 pt1 p20 pt2 p18.
3 g 8/00 C 5.00 0.00 0.00 0.00 0.00 0 60.0535000 1050924.332
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16191.831
-1.200801119D+04-5.553702910D+02 1.123828271D+01-4.347884520D-03 1.738987490D-05
-1.707945418D-08 5.574541910D-12 1.262404627D+05-3.262308990D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16191.831
2.172055356D+05-2.958510027D+03 1.561080967D+01-8.200361920D-04 1.776898025D-07
-2.009853583D-11 9.222677770D-16 1.395208064D+05-6.433077180D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16191.831
3.266863960D+06-2.666377675D+03 1.408383780D+01-6.620512140D-05 4.099789450D-09
-1.315689998D-13 1.711940703D-18 1.405413771D+05-5.349354010D+01
C5H6,1,3cyclo- 1,3-Cyclopentadiene. Pedley,1986 p90. Dorofeeva,1986.
2 g 5/90 C 5.00H 6.00 0.00 0.00 0.00 0 66.1011400 134300.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13535.529
-1.886259728D+05 4.738220870D+03-3.888958010D+01 1.667438533D-01-2.141149581D-04
1.438132328D-07-3.906478110D-11 -5.667022010D+03 2.279898557D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13535.529
4.428478190D+06-2.123547976D+04 4.309819010D+01-3.914783460D-03 7.311847010D-07
-7.327241190D-11 3.044403403D-15 1.382542782D+05-2.605959678D+02
C5H8,cyclo- Cyclopentene. Hf:TRC(10/92) w2840. Dorofeeva,1986.
2 g 1/93 C 5.00H 8.00 0.00 0.00 0.00 0 68.1170200 33900.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14857.179
-2.631114588D+05 5.987753490D+03-4.522244600D+01 1.804626339D-01-2.177216062D-04
1.402022671D-07-3.699094300D-11 -2.379504749D+04 2.660136401D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14857.179
4.569848100D+06-2.406018294D+04 4.881006460D+01-3.413054980D-03 6.047001660D-07
-5.927495780D-11 2.447865390D-15 1.413983093D+05-2.989533527D+02
C5H10,1-pentene TRC(4/87) tuvw2500.
2 n 4/87 C 5.00H 10.00 0.00 0.00 0.00 0 70.1329000 -21280.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21680.000
-5.340548130D+05 9.298917380D+03-5.667792450D+01 2.123100266D-01-2.571298290D-04
1.666834304D-07-4.434080470D-11 -4.790682180D+04 3.396036400D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21680.000
3.744014970D+06-2.104485321D+04 4.736126990D+01-4.244201200D-04-3.898975050D-08
1.367074243D-11-9.313194230D-16 1.154091373D+05-2.786177449D+02
C5H10,cyclo- Cyclopentane. Dorofeeva,1986.
2 g 2/01 C 5.00H 10.00 0.00 0.00 0.00 0 70.1329000 -77100.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15023.337
-4.141119710D+05 8.627592800D+03-6.202959980D+01 2.259910921D-01-2.682303330D-04
1.706289935D-07-4.464050920D-11 -4.931522140D+04 3.583916230D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15023.337
7.501938730D+06-3.505864850D+04 6.322480750D+01-6.940356580D-03 1.337306593D-06
-1.377905033D-10 5.867357640D-15 1.954925511D+05-4.026550900D+02
C5H11,pentyl Radical. TRC(10/84) tuvw1941.
2 n10/84 C 5.00H 11.00 0.00 0.00 0.00 0 71.1408400 45810.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24422.000
-4.653715920D+05 8.564220420D+03-5.295242890D+01 2.094288859D-01-2.561602906D-04
1.692755961D-07-4.596788110D-11 -3.641704270D+04 3.196862240D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24422.000
5.697252900D+06-2.891706175D+04 5.811029680D+01-3.593995010D-03 4.419967630D-07
-1.509664551D-11-6.626964430D-16 1.717009550D+05-3.522477120D+02
C5H11,t-pentyl 1,1-dimethylpropyl radical. Tsang,1985.
2 g 1/93 C 5.00H 11.00 0.00 0.00 0.00 0 71.1408400 32600.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19643.723
-5.152181980D+05 9.144327830D+03-5.602397890D+01 1.998204194D-01-2.239112591D-04
1.375455547D-07-3.523833050D-11 -4.036266610D+04 3.402811000D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19643.723
8.602108260D+06-3.805205770D+04 6.649690370D+01-7.533860630D-03 1.451612787D-06
-1.495593207D-10 6.368022330D-15 2.281858805D+05-4.169408550D+02
C5H12,n-pentane TRC(10/85) tuvw1350.
2 n10/85 C 5.00H 12.00 0.00 0.00 0.00 0 72.1487800 -146760.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24184.000
-2.768894625D+05 5.834283470D+03-3.617541480D+01 1.533339707D-01-1.528395882D-04
8.191092000D-08-1.792327902D-11 -4.665375250D+04 2.265544053D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24184.000
-2.530779286D+06-8.972593260D+03 4.536223260D+01-2.626989916D-03 3.135136419D-06
-5.318728940D-10 2.886896868D-14 1.484616529D+04-2.516550384D+02
C5H12,i-pentane 2-Methylbutane. TRC(10/85) tuvw1350.
2 n10/85 C 5.00H 12.00 0.00 0.00 0.00 0 72.1487800 -153700.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22008.000
-4.231903390D+05 6.497189100D+03-3.681126970D+01 1.532424729D-01-1.548790714D-04
8.749897120D-08-2.070547710D-11 -5.155416590D+04 2.309518218D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22008.000
1.156888594D+07-4.556246870D+04 7.495443630D+01-7.845415580D-03 1.444393314D-06
-1.464370213D-10 6.230285000D-15 2.544927135D+05-4.801985780D+02
CH3C(CH3)2CH3 2,2-Dimethylpropane (neopentane). TRC(10/85) tuvw1350.
2 n10/85 C 5.00H 12.00 0.00 0.00 0.00 0 72.1487800 -167920.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23179.000
-8.973222270D+06 1.289225617D+05-7.199344830D+02 2.056862183D+00-2.953159699D-03
2.158893146D-06-6.268318770D-10 -6.394932020D+05 4.020806360D+03
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23179.000
1.684705520D+07-5.979430570D+04 8.685451480D+01-9.621917600D-03 1.653363091D-06
-1.674727926D-10 7.372119360D-15 3.458496820D+05-5.760466970D+02
C6D5,phenyl Radical-d5. Burcat,1985.
2 g 1/01 C 6.00D 5.00 0.00 0.00 0.00 0 82.1347100 315740.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15919.077
2.012837008D+05-1.979349332D+03 2.628267500D+00 5.951865260D-02-6.081280450D-05
3.381391650D-08-8.125429080D-12 4.697247490D+04 3.354700980D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15919.077
1.411628125D+06-1.362569472D+04 4.028984940D+01-3.490989270D-03 7.379612130D-07
-8.192244050D-11 3.705330970D-15 1.088073731D+05-2.293621057D+02
C6D6 Benzene-d6. Burcat,1985.
2 g 1/01 C 6.00D 6.00 0.00 0.00 0.00 0 84.1488120 58157.378
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16324.686
2.762911236D+05-2.865868902D+03 5.395070430D+00 5.939315170D-02-6.023631180D-05
3.381398570D-08-8.306046370D-12 2.047083778D+04-2.011790696D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16324.686
1.758057871D+06-1.572121558D+04 4.468162490D+01-4.003361920D-03 8.445434400D-07
-9.360556980D-11 4.228475530D-15 8.962045360D+04-2.615332268D+02
C6H2 Dorofeeva,1991.
2 g 2/93 C 6.00H 2.00 0.00 0.00 0.00 0 74.0800800 670000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19607.714
2.903722964D+05-4.929751500D+03 3.189323210D+01-3.119447315D-02 4.325763680D-05
-2.732517022D-08 6.674446110D-12 1.011898682D+05-1.530593012D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19607.714
2.592848577D+06-1.083361978D+04 2.847459495D+01-1.876727704D-03 3.412134280D-07
-3.337392890D-11 1.356853889D-15 1.418517294D+05-1.494853494D+02
C6H5,phenyl Radical.Hf:TRC(10/89) w4270. Jacox,1998. NASA ab initio.
2 g11/00 C 6.00H 5.00 0.00 0.00 0.00 0 77.1039000 337200.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14154.633
-1.211278245D+05 3.529045580D+03-3.116903422D+01 1.467550630D-01-1.831398296D-04
1.192576957D-07-3.149265860D-11 2.420972928D+04 1.868799946D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14154.633
3.670279230D+06-1.894601209D+04 4.180581820D+01-3.503914150D-03 6.561821740D-07
-6.594714450D-11 2.748094212D-15 1.476744628D+05-2.475301142D+02
C6H5O,phenoxy Phenoxy radical. Burcat,1985.
2 g 8/00 C 6.00H 5.00O 1.00 0.00 0.00 0 93.1033000 47700.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16208.094
-1.292264217D+05 3.406740680D+03-2.911367361D+01 1.459180378D-01-1.780202758D-04
1.138615885D-07-2.967142152D-11 -1.055026758D+04 1.770682011D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16208.094
3.678640340D+06-1.972980806D+04 4.541184410D+01-3.751064390D-03 7.114450780D-07
-7.233328850D-11 3.045637067D-15 1.163595961D+05-2.681058539D+02
C6H6 TRC(10/86)w3200. Pliva,1982,1983,1984. Shimanouchi,1972.
2 g 8/00 C 6.00H 6.00 0.00 0.00 0.00 0 78.1118400 82880.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14195.691
-1.677340902D+05 4.404500040D+03-3.717377910D+01 1.640509559D-01-2.020812374D-04
1.307915264D-07-3.444284100D-11 -1.035455401D+04 2.169853345D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14195.691
4.538575720D+06-2.260502547D+04 4.694007300D+01-4.206676830D-03 7.907994330D-07
-7.968302100D-11 3.328212080D-15 1.391464686D+05-2.868751333D+02
C6H5OH,phenol Burcat,1985.
2 g 8/00 C 6.00H 6.00O 1.00 0.00 0.00 0 94.1112400 -96399.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17496.700
-1.209418144D+05 3.378292270D+03-2.991846148D+01 1.567802942D-01-1.970937198D-04
1.291815064D-07-3.424351260D-11 -2.779387017D+04 1.799708977D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17496.700
4.462081570D+06-2.165521026D+04 4.815015050D+01-3.568282430D-03 6.327175730D-07
-6.039905720D-11 2.399168678D-15 1.113726204D+05-2.860454446D+02
C6H10,cyclo- Cyclohexene. Dorofeeva,1986.
2 g 1/93 C 6.00H 10.00 0.00 0.00 0.00 0 82.1436000 -4600.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17270.784
-3.750282210D+05 7.643876750D+03-5.510434760D+01 2.166231405D-01-2.545452198D-04
1.607607304D-07-4.185248410D-11 -3.661073010D+04 3.202409460D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17270.784
7.510128980D+06-3.556858210D+04 6.703034940D+01-7.045351870D-03 1.358166400D-06
-1.400074492D-10 5.964551700D-15 2.060274332D+05-4.238197660D+02
C6H12,1-hexene TRC(4/87) tuvw2500.
2 n 4/87 C 6.00H 12.00 0.00 0.00 0.00 0 84.1594800 -41950.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26240.000
-6.668831650D+05 1.176864939D+04-7.270998330D+01 2.709398396D-01-3.333246400D-04
2.182347097D-07-5.859468820D-11 -6.215780540D+04 4.286825640D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26240.000
7.332906960D+05-1.448848641D+04 4.671215490D+01 3.172978470D-03-5.242646520D-07
4.280355820D-11-1.472353254D-15 6.697740410D+04-2.623643854D+02
C6H12,cyclo- Cyclohexane. Dorofeeva,1986.
2 g 6/90 C 6.00H 12.00 0.00 0.00 0.00 0 84.1594800 -123300.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17544.814
-5.679987040D+05 1.034238704D+04-6.800041250D+01 2.387797658D-01-2.511890049D-04
1.425293184D-07-3.407833190D-11 -6.404635160D+04 3.934808210D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17544.814
5.225149470D+06-3.364194580D+04 7.174607470D+01-6.698979120D-03 1.318443254D-06
-1.390794789D-10 6.060102240D-15 1.732537609D+05-4.546814170D+02
C6H13,n-hexyl TRC(10/83) tuvw1930.
2 n10/83 C 6.00H 13.00 0.00 0.00 0.00 0 85.1674200 25100.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 28983.000
-1.427278220D+06 2.248828093D+04-1.297492240D+02 4.279797330D-01-5.556013180D-04
3.791256940D-07-1.048462404D-10 -1.060261015D+05 7.497186760D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 28983.000
5.967938620D+06-3.299023160D+04 6.869073440D+01-4.225009060D-03 5.496523820D-07
-2.292851471D-11-5.086341890D-16 1.906978683D+05-4.185362000D+02
C6H14,n-hexane TRC(4/85) tuvw1440.
2 g 6/01 C 6.00H 14.00 0.00 0.00 0.00 0 86.1753600 -166920.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 28702.000
-5.815926700D+05 1.079097724D+04-6.633947030D+01 2.523715155D-01-2.904344705D-04
1.802201514D-07-4.617223680D-11 -7.271544570D+04 3.938283540D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 28702.000
-3.106625684D+06-7.346087920D+03 4.694131760D+01 1.693963977D-03 2.068996667D-06
-4.212141680D-10 2.452345845D-14 5.237503120D+02-2.549967718D+02
C7H7,benzyl Radical. Brouwer,1988. Hippler,1990.
2 g 7/01 C 7.00H 7.00 0.00 0.00 0.00 0 91.1304800 210500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18554.892
-1.836764826D+05 4.102465660D+03-3.202406100D+01 1.588249575D-01-1.894466924D-04
1.203649671D-07-3.136589637D-11 5.266333230D+03 1.938751720D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18554.892
5.297322160D+06-2.599909398D+04 5.509750790D+01-4.977661470D-03 9.463152430D-07
-9.639008860D-11 4.064470420D-15 1.738382912D+05-3.343829550D+02
C7H8 Hf:TRC(4/98) w3510. Hitchcock,1975. Rudolph,1967.
2 g 1/93 C 7.00H 8.00 0.00 0.00 0.00 0 92.1384200 50170.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17940.345
-2.877962220D+05 6.133941520D+03-4.574706760D+01 1.936895724D-01-2.304305304D-04
1.459301178D-07-3.790796100D-11 -2.308402499D+04 2.693915042D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17940.345
6.184538350D+06-2.990284056D+04 5.982005970D+01-5.696983960D-03 1.080748416D-06
-1.098702235D-10 4.624740220D-15 1.782047857D+05-3.698082250D+02
C7H8O,cresol-mx Eql. mixture of isomers. Kudchadker,1978.
2 g12/00 C 7.00H 8.00O 1.00 0.00 0.00 0 108.1378200 -132298.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21838.344
-2.441417503D+05 5.080877840D+03-3.789048040D+01 1.864945070D-01-2.269511868D-04
1.458989279D-07-3.822403350D-11 -4.093657830D+04 2.281352234D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21838.344
6.017373450D+06-2.849882774D+04 6.081543070D+01-4.996807110D-03 9.134279950D-07
-8.979444110D-11 3.667756970D-15 1.472218400D+05-3.674850140D+02
C7H14,1-heptene TRC(4/87) tuvw2500.
2 n 4/87 C 7.00H 14.00 0.00 0.00 0.00 0 98.1860600 -62760.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 30790.000
-7.449402840D+05 1.332179893D+04-8.281694380D+01 3.108065994D-01-3.786779920D-04
2.446841042D-07-6.488763870D-11 -7.217885010D+04 4.856671490D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 30790.000
-1.927608174D+06-9.125024420D+03 4.748177970D+01 6.067660530D-03-8.684859080D-07
5.813995260D-11-1.473979569D-15 2.600914656D+04-2.562880707D+02
C7H15,n-heptyl TRC(10/83) tuvw1930.
2 n10/83 C 7.00H 15.00 0.00 0.00 0.00 0 99.1940000 4390.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 33543.000
-1.671733521D+06 2.640010250D+04-1.526867707D+02 5.027121410D-01-6.521014030D-04
4.443488110D-07-1.227815006D-10 -1.273754623D+05 8.783933320D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 33543.000
5.444527570D+06-3.456829290D+04 7.638651950D+01-3.298972000D-03 2.343496957D-07
2.467674021D-11-3.162012849D-15 1.939079354D+05-4.641424660D+02
C7H16,n-heptane TRC(10/85) tuv1460. TRC(10/84) ptuv1010.
2 n10/85 C 7.00H 16.00 0.00 0.00 0.00 0 100.2019400 -187780.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 33221.000
-6.127432890D+05 1.184085437D+04-7.487188600D+01 2.918466052D-01-3.416795490D-04
2.159285269D-07-5.655852730D-11 -8.013408940D+04 4.407213320D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 33221.000
9.135632470D+06-3.923319690D+04 7.889780850D+01-4.654251930D-03 2.071774142D-06
-3.442539300D-10 1.976834775D-14 2.050708295D+05-4.851104020D+02
C7H16,2-methylh 2-methylhexane. TRC(10/85) tuvw1460.
2 n10/85 C 7.00H 16.00 0.00 0.00 0.00 0 100.2019400 -194600.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 30920.000
-7.104777770D+05 1.191251120D+04-7.345339440D+01 2.902952369D-01-3.462767680D-04
2.260184498D-07-6.128813920D-11 -8.202147700D+04 4.320042290D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 30920.000
1.289912969D+06-1.784340963D+03 1.083537673D+01 5.270609240D-02-1.886832314D-05
2.432255843D-09-1.135553789D-13 -1.637529884D+04-2.981862410D+01
C8H8,styrene Ethenylbenzene. TRC(4/89) tuvw4490.
2 n 4/89 C 8.00H 8.00 0.00 0.00 0.00 0 104.1491200 148300.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20940.000
-2.686930520D+05 6.167999470D+03-4.836054940D+01 2.182873229D-01-2.738561832D-04
1.810084981D-07-4.867750270D-11 -1.140639978D+04 2.817679014D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20940.000
-6.629183620D+06 1.514594166D+04 1.609822364D+00 3.383318600D-02-1.093737395D-05
1.338825116D-09-6.032534920D-14 -8.997324150D+04 4.311282790D+01
C8H10,ethylbenz Ethylbenzene. TRC(10/86) tuvw3200.
2 n10/86 C 8.00H 10.00 0.00 0.00 0.00 0 106.1650000 29920.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22280.000
-4.694940000D+05 9.307168360D+03-6.521769470D+01 2.612080237D-01-3.181753480D-04
2.051355473D-07-5.401817350D-11 -4.073870210D+04 3.780904360D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22280.000
5.551564100D+06-2.831380598D+04 6.061240720D+01 1.042112857D-03-1.327426719D-06
2.166031743D-10-1.142545514D-14 1.642241062D+05-3.691769820D+02
C8H16,1-octene TRC(4/87) tuvw2500.
2 n 4/87 C 8.00H 16.00 0.00 0.00 0.00 0 112.2126400 -83590.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 35350.000
-9.281905220D+05 1.640974476D+04-1.015939534D+02 3.748001410D-01-4.590829400D-04
2.965335340D-07-7.840445210D-11 -8.952426080D+04 5.907594270D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 35350.000
-4.409336070D+06-4.383678800D+03 4.939154260D+01 7.912339630D-03-7.888669510D-07
9.970212350D-12 1.913144872D-15 -1.122619342D+04-2.577650649D+02
C8H17,n-octyl TRC(10/83) tuvw1930.
2 n10/83 C 8.00H 17.00 0.00 0.00 0.00 0 113.2205800 -16320.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 38103.000
-1.934340995D+06 3.054979830D+04-1.767903454D+02 5.801596650D-01-7.517414010D-04
5.112469030D-07-1.410193662D-10 -1.498894706D+05 1.013724329D+03
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 38103.000
5.632173390D+06-3.821143670D+04 8.637927500D+01-3.608931580D-03 2.544260445D-07
2.908638837D-11-3.679549740D-15 2.103135470D+05-5.262422830D+02
C8H18,n-octane TRC(4/85) tuvw1490.
2 n 4/85 C 8.00H 18.00 0.00 0.00 0.00 0 114.2285200 -208750.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 37780.000
-6.986647150D+05 1.338501096D+04-8.415165920D+01 3.271936660D-01-3.777209590D-04
2.339836988D-07-6.010892650D-11 -9.026223250D+04 4.939222140D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 37780.000
6.365406950D+06-3.105364657D+04 6.969162340D+01 1.048059637D-02-4.129621950D-06
5.543226320D-10-2.651436499D-14 1.500968785D+05-4.169895650D+02
C8H18,isooctane 2,2,4-Trimethylpentane. TRC(4/85) tuvw1490.
2 n 4/85 C 8.00H 18.00 0.00 0.00 0.00 0 114.2285200 -224010.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 32170.000
-1.688758565D+05 3.126903227D+03-2.123502828D+01 1.489151508D-01-1.151180135D-04
4.473216170D-08-5.554882070D-12 -4.468060620D+04 1.417455793D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 32170.000
1.352765032D+07-4.663370340D+04 7.795313180D+01 1.423729984D-02-5.073593910D-06
7.248232970D-10-3.819190110D-14 2.541178017D+05-4.933887190D+02
C9H19,n-nonyl TRC (10/83) tuvw1930.
2 n10/83 C 9.00H 19.00 0.00 0.00 0.00 0 127.2471600 -37030.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 42664.000
-2.194880612D+06 3.468565780D+04-2.009261419D+02 6.580503110D-01-8.525930010D-04
5.794638960D-07-1.597637099D-10 -1.723194608D+05 1.149114017D+03
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 42664.000
5.277361740D+06-4.025701960D+04 9.457296720D+01-2.940301447D-03 6.978106990D-09
6.805250240D-11-5.907095330D-15 2.165320614D+05-5.754449500D+02
C10H8,naphthale Naphthalene. Chen,1979.
2 g 3/01 C 10.00H 8.00 0.00 0.00 0.00 0 128.1705200 150580.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20713.076
-2.602845316D+05 6.237409570D+03-5.226095040D+01 2.397692776D-01-2.912244803D-04
1.854944401D-07-4.816619270D-11 -1.114700880D+04 2.972139517D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20713.076
5.906172110D+06-3.163229240D+04 7.030342030D+01-6.018865540D-03 1.142052144D-06
-1.161605689D-10 4.892844020D-15 1.962567046D+05-4.347848950D+02
C10H21,n-decyl TRC(10/83) tuvw1930.
2 n10/83 C 10.00H 21.00 0.00 0.00 0.00 0 141.2737400 -57740.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 47224.000
-2.446511152D+06 3.870081300D+04-2.244388176D+02 7.343624970D-01-9.513525600D-04
6.462970330D-07-1.781502862D-10 -1.941633889D+05 1.280987834D+03
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 47224.000
4.967237760D+06-4.242468440D+04 1.028853417D+02-2.324848180D-03-2.284233900D-07
1.056127364D-10-8.068065900D-15 2.235429890D+05-6.255191160D+02
C12H9,o-bipheny o-Biphenyl radical. Burcat,1985.
2 g 8/00 C 12.00H 9.00 0.00 0.00 0.00 0 153.1998600 427730.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26589.347
-3.595840820D+05 7.661378560D+03-5.873290460D+01 2.697557882D-01-3.229756680D-04
2.032907100D-07-5.231316720D-11 1.458414642D+04 3.392687110D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26589.347
6.736469420D+06-3.632194350D+04 8.210239600D+01-7.502342860D-03 1.456251733D-06
-1.507145019D-10 6.436470430D-15 2.555524521D+05-5.042462970D+02
C12H10,biphenyl Burcat,1985.
2 g 8/00 C 12.00H 10.00 0.00 0.00 0.00 0 154.2078000 182130.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26783.523
-3.671034050D+05 8.128412590D+03-6.390994570D+01 2.901422744D-01-3.509590740D-04
2.230989996D-07-5.788470290D-11 -1.679263066D+04 3.633464190D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26783.523
7.480385360D+06-3.928087230D+04 8.661482220D+01-7.946398570D-03 1.531868544D-06
-1.576450171D-10 6.700602730D-15 2.438050641D+05-5.381381490D+02
Ca Hf:Cox,1989. Sugar,1985. Gordon,1999.
3 g 8/97 CA 1.00 0.00 0.00 0.00 0.00 0 40.0780000 177800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.063892786D+04 4.384548330D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
7.547341240D+06-2.148642662D+04 2.530849567D+01-1.103773705D-02 2.293249636D-06
-1.209075383D-10-4.015333268D-15 1.585862323D+05-1.609512955D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
2.291781634D+09-1.608862960D+06 4.312466360D+02-5.396508990D-02 3.531856210D-06
-1.164403850D-10 1.527134223D-15 1.258651434D+07-3.692101610D+03
Ca+ Sugar,1985. Gordon,1999.
3 g 1/98 CA 1.00E -1.00 0.00 0.00 0.00 0 40.0774514 773827.728
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 9.232417790D+04 5.077674980D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
3.747070820D+06-1.174707738D+04 1.672546969D+01-8.334797710D-03 2.394593294D-06
-2.988243468D-10 1.356563002D-14 1.664329088D+05-9.582821260D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
9.117128410D+08-6.220428460D+05 1.683741136D+02-2.140862670D-02 1.452947686D-06
-4.920790880D-11 6.575369235D-16 4.959472060D+06-1.422600719D+03
CaBr Gurvich,1996a pt1 p471 pt2 p367.
2 tpis96 CA 1.00BR 1.00 0.00 0.00 0.00 0 119.9820000 -24868.681
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9856.119
5.693832620D+02-1.257513537D+02 5.001508330D+00-1.039868753D-03 1.377594927D-06
-8.949013960D-10 2.395658928D-13 -3.728103980D+03 1.784864847D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9856.119
2.783236402D+06-8.458203730D+03 1.431756560D+01-5.430781680D-03 1.522218659D-06
-1.831824807D-10 7.864288660D-15 4.931270680D+04-6.537001100D+01
CaBr2 Gurvich,1996a pt1 p474 pt2 p369.
2 tpis96 CA 1.00BR 2.00 0.00 0.00 0.00 0 199.8860000 -387197.300
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15603.200
1.572504318D+03-2.238551236D+02 8.388457890D+00-1.944164774D-03 2.397926088D-06
-1.556572350D-09 4.124309580D-13 -4.772106610D+04-1.074965233D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15603.200
-2.219846426D+04-4.463155330D+00 7.503755110D+00-1.641654626D-06 3.879428060D-10
-4.683424260D-14 2.259325541D-18 -4.885436820D+04-5.590324250D+00
CaCL Gurvich,1996a pt1 p464 pt2 p363.
2 tpis96 CA 1.00CL 1.00 0.00 0.00 0.00 0 75.5310000 -103772.885
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9595.115
6.395335260D+03-2.249042269D+02 5.283278390D+00-1.447983237D-03 1.643742771D-06
-9.430104280D-10 2.237516133D-13 -1.270169000D+04-1.391964289D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9595.115
1.629182545D+06-4.766223020D+03 9.658929770D+00-2.523044131D-03 5.833542160D-07
-4.101726990D-11 8.813177640D-17 1.662599241D+04-3.398731174D+01
CaCL+ Gurvich,1996a pt1 p466 pt2 p364.
2 tpis96 CA 1.00CL 1.00E -1.00 0.00 0.00 0 75.5304514 467190.513
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9361.113
2.285284542D+03-2.002872721D+02 4.936990190D+00-3.860973030D-04 8.686661880D-08
1.470205680D-10-7.689315870D-14 5.588277950D+04-6.359815341D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9361.113
1.770280396D+05-5.891372390D+02 5.103368800D+00-2.356761168D-04 5.483732870D-08
2.137973112D-14-5.572887310D-16 5.853417250D+04-2.191253644D+00
CaCL2 Gurvich,1996a pt1 p470 pt2 p366.
2 tpis96 CA 1.00CL 2.00 0.00 0.00 0.00 0 110.9840000 -485243.477
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14857.023
1.106802030D+04-4.249108250D+02 9.134711860D+00-3.497185310D-03 4.242184630D-06
-2.719673231D-09 7.138268630D-13 -5.850346760D+04-1.808678294D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14857.023
-3.595768780D+04-8.796495630D+00 7.507256910D+00-3.129465934D-06 7.322886480D-10
-8.776403220D-14 4.210486040D-18 -6.066779660D+04-8.553523451D+00
CaF Gurvich,1996a pt1 p456 pt2 p359.
2 tpis96 CA 1.00F 1.00 0.00 0.00 0.00 0 59.0764032 -276403.790
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9132.110
3.184235400D+04-4.918235090D+02 5.701120890D+00-1.465138218D-03 9.092930810D-07
-1.367585222D-10-5.106323380D-14 -3.197694110D+04-5.996662260D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9132.110
5.195882670D+05-1.512321567D+03 5.869276250D+00-3.882524480D-04-2.484582298D-08
3.749915960D-11-3.470976450D-15 -2.488814584D+04-8.614663700D+00
CaF+ Gurvich,1996a pt1 p460 pt2 p360.
2 tpis96 CA 1.00F 1.00E -1.00 0.00 0.00 0 59.0758546 260664.608
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9003.108
4.158340800D+04-5.627661660D+02 5.687522150D+00-1.264710572D-03 6.669086480D-07
-6.926752820D-11-3.978714620D-14 3.305119500D+04-6.974485010D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9003.108
-1.398670845D+05 2.191526375D+02 4.214324340D+00 2.142798048D-04-5.778672600D-08
9.985756310D-12-6.059621880D-16 2.841605897D+04 2.740342729D+00
CaF2 Gurvich,1996a pt1 p462 pt2 p362.
2 tpis96 CA 1.00F 2.00 0.00 0.00 0.00 0 78.0748064 -790828.409
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12811.591
5.909352290D+04-1.019733042D+03 1.013165309D+01-5.503506440D-03 5.629319980D-06
-3.115401465D-09 7.205525940D-13 -9.192608190D+04-2.639505950D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12811.591
-8.280409440D+04-3.115950071D+01 7.023577370D+00-9.521000020D-06 2.118160895D-09
-2.440713888D-13 1.135135468D-17 -9.729466770D+04-7.546243340D+00
CaH Gurvich,1996a pt1 p447 pt2 p353.
2 tpis96 CA 1.00H 1.00 0.00 0.00 0.00 0 41.0859400 229409.105
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8705.105
-4.513782230D+04 7.629429210D+02-1.280874223D+00 1.318774659D-02-1.481595334D-05
8.536573220D-09-1.989958945D-12 2.300378814D+04 3.053421525D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8705.105
-2.696952529D+06 8.607059750D+03-7.027454820D+00 7.467916310D-03-2.318610699D-06
3.423072420D-10-1.892679792D-14 -2.773819107D+04 7.845822010D+01
CaI Gurvich,1996a pt1 p474 pt2 p370.
2 tpis96 CA 1.00I 1.00 0.00 0.00 0.00 0 166.9824700 12183.320
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10018.120
-8.261790180D+02-8.508975900D+01 4.864171690D+00-7.863169650D-04 1.100493506D-06
-7.348030610D-10 2.010892767D-13 5.236753440D+02 3.585391680D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10018.120
1.771071309D+06-5.683643730D+03 1.153857476D+01-4.194020200D-03 1.291359961D-06
-1.730043579D-10 8.380762350D-15 3.583293200D+04-4.405917570D+01
CaI2 Gurvich,1996a pt1 p477 pt2 p372.
2 tpis96 CA 1.00I 2.00 0.00 0.00 0.00 0 293.8869400 -259319.505
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16050.995
-1.097851401D+03-1.459821761D+02 8.089341840D+00-1.305332923D-03 1.624199331D-06
-1.061194001D-09 2.825551217D-13 -3.272692980D+04-6.981714940D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16050.995
-1.623727104D+04-2.859530722D+00 7.502432190D+00-1.071178707D-06 2.544559095D-10
-3.083631004D-14 1.491836724D-18 -3.346341170D+04-3.567305740D+00
CaO Gurvich,1996a pt1 p443 pt2 p349.
3 tpis96 CA 1.00O 1.00 0.00 0.00 0.00 0 56.0774000 38005.308
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8953.108
3.889733070D+04-4.835677350D+02 5.077713250D+00 3.076235250D-04-1.159759897D-06
8.493433340D-10-1.495333366D-13 5.937643480D+03-3.955320730D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8953.108
-4.913106170D+07 1.495865950D+05-1.681654149D+02 9.381950260D-02-2.455529428D-05
3.074980720D-09-1.485914237D-13 -9.461511720D+05 1.235694769D+03
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8953.108
-3.504055130D+08 2.083212387D+05-3.978209270D+01 5.039268720D-03-3.220707680D-07
1.057379426D-11-1.396044154D-16 -1.662378721D+06 3.934491930D+02
CaO+ Gurvich,1996a pt1 p445 pt2 p351.
3 tpis96 CA 1.00O 1.00E -1.00 0.00 0.00 0 56.0768514 710237.542
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9163.110
1.098060332D+05-1.459992448D+03 9.880777940D+00-9.157564600D-03 8.707582560D-06
-4.390411080D-09 9.264854660D-13 9.150057350D+04-3.009947701D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9163.110
9.397843130D+05-2.993362243D+03 8.336191820D+00-2.303295087D-03 7.373967530D-07
-1.052888279D-10 5.257138410D-15 1.028098401D+05-2.461547836D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9163.110
-7.648645260D+07 1.739245253D+04 8.420288710D+00-1.168386844D-03 8.413684900D-08
-2.770799280D-12 3.569474430D-17 -8.643489770D+04-2.376513061D+01
CaOH Gurvich,1996a pt1 p451 pt2 p355.
2 tpis96 CA 1.00O 1.00H 1.00 0.00 0.00 0 57.0853400 -173307.350
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11049.697
4.620028900D+04-9.285672820D+02 9.175828770D+00-3.962828800D-03 2.505447308D-06
3.852068210D-11-3.352778470D-13 -1.798009717D+04-2.533704850D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11049.697
1.979972994D+06-5.598880990D+03 1.151348706D+01-1.668264707D-03 3.312573910D-07
-1.789056647D-11-3.580716410D-16 1.340196822D+04-4.646084260D+01
CaOH+ Gurvich,1996a pt1 p452 pt2 p356.
2 tpis96 CA 1.00O 1.00H 1.00E -1.00 0.00 0 57.0847914 372938.100
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11097.719
4.884342660D+04-9.832415100D+02 9.610182950D+00-5.204360660D-03 4.263049820D-06
-1.197590878D-09 9.028411890D-15 4.795056340D+04-2.827077334D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11097.719
8.637615370D+05-2.347302046D+03 7.981911200D+00 1.003160947D-04-6.240074170D-08
1.019540904D-11-5.698925280D-16 5.830580120D+04-2.152181937D+01
Ca(OH)2 Gurvich,1996a pt1 p455 pt2 p358.
2 tpis96 CA 1.00O 2.00H 2.00 0.00 0.00 0 74.0926800 -598338.869
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16592.281
8.389257540D+04-1.791902135D+03 1.621891031D+01-7.840857170D-03 5.095111610D-06
-6.955487550D-11-6.132152640D-13 -6.600405630D+04-6.070913920D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16592.281
1.721854884D+06-4.702217670D+03 1.396947691D+01 1.983791405D-04-1.243050592D-07
2.033402404D-11-1.137157819D-15 -4.443761350D+04-5.287444860D+01
CaS Gurvich,1996a pt1 p480 pt2 p374.
2 tpis96 CA 1.00S 1.00 0.00 0.00 0.00 0 72.1430000 121475.313
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9360.113
2.320990615D+04-4.518446080D+02 6.172333750D+00-3.598852020D-03 4.823731710D-06
-3.631733540D-09 1.212849867D-12 1.554597691D+04-7.686936462D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9360.113
-1.568353214D+07 5.293855810D+04-6.322467240D+01 4.027726380D-02-1.114855081D-05
1.464389344D-09-7.376078970D-14 -3.172022670D+05 4.799606012D+02
Ca2 Gurvich,1996a pt1 p439 pt2 p347.
2 tpis96 CA 2.00 0.00 0.00 0.00 0.00 0 80.1560000 341765.336
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11273.136
-8.582228620D+04 1.588188960D+02 1.103952055D+01-3.333196760D-02 5.345938810D-05
-4.011573240D-08 1.160486682D-11 3.770350800D+04-2.397744561D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11273.136
2.405966267D+05 5.775803820D+01 2.347436675D+00 1.199275034D-04-4.329150310D-08
7.015302690D-12-3.705660320D-16 4.081875400D+04 1.895399607D+01
Cd Hf:Cox,1989. Moore,1971. Gordon,1999.
3 g 7/97 CD 1.00 0.00 0.00 0.00 0.00 0 112.4110000 111800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-1.081751543D-04 1.816433041D-06 2.499999989D+00 3.129989231D-11-4.600710160D-14
3.407048740D-17-9.989497436D-21 1.270099766D+04 5.931549760D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-2.699757467D+05 7.866001140D+02 1.628169079D+00 4.594123290D-04-1.150420443D-07
1.074836707D-11 8.790199555D-17 7.675148260D+03 1.220006052D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-1.336284287D+09 9.320949110D+05-2.490956222D+02 3.302878610D-02-2.200384347D-06
7.425712550D-11-1.026730246D-15 -7.267528990D+06 2.167946107D+03
Cd+ Moore,1971. Gordon,1999.
3 g 7/97 CD 1.00E -1.00 0.00 0.00 0.00 0 112.4104514 985754.328
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
4.098344940D-04-4.343581620D-06 2.500000019D+00-4.389036810D-11 5.563969200D-14
-3.638228260D-17 9.607881995D-21 1.178129439D+05 6.624689450D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.484880812D+04-4.669153680D+01 2.557883006D+00-3.624701700D-05 1.213747570D-08
-2.072802814D-12 1.420665367D-16 1.181070109D+05 6.216414480D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-6.428364400D+07 4.740395160D+04-1.165755517D+01 2.220273739D-03-1.964219980D-07
9.262295070D-12-1.560026961D-16 -2.489244513D+05 1.263946278D+02
CL Hf:Cox,1989. Moore,1971. Moore,1970a. Gordon,1999.
3 g 7/97 CL 1.00 0.00 0.00 0.00 0.00 0 35.4530000 121301.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6271.588
2.276215854D+04-2.168413293D+02 2.745185115D+00 2.451101694D-03-5.458011990D-06
4.417986880D-09-1.288134004D-12 1.501357068D+04 3.102963457D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6271.588
-1.697932930D+05 6.081726460D+02 2.128664090D+00 1.307367034D-04-2.644883596D-08
2.842504775D-12-1.252911731D-16 9.934387400D+03 8.844772103D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6271.588
-7.139687070D+07 4.499936330D+04-9.264315350D+00 1.657437964D-03-1.326219399D-07
5.533998870D-12-8.390301878D-17 -3.405333030D+05 1.069111426D+02
CL+ Moore,1971. Moore,1970a. Gordon,1999.
3 g 1/98 CL 1.00E -1.00 0.00 0.00 0.00 0 35.4524514 1378799.635
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6386.335
1.034697859D+05-1.293758873D+03 8.186702690D+00-9.916014600D-03 9.208472370D-06
-4.507426240D-09 9.182127880D-13 1.714758780D+05-2.766417931D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6386.335
4.056409480D+04-4.960165720D+01 3.101653630D+00-5.868738290D-04 2.252039316D-07
-3.299703020D-11 1.708780842D-15 1.652982337D+05 2.574942598D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6386.335
-3.078099946D+06-6.858418280D+02 3.092289282D+00-1.922260015D-05 3.805551560D-10
-1.571848967D-13 8.442513880D-18 1.683434405D+05 1.334407234D+00
CL- Hotop,1985. Gordon,1999.
3 g 4/97 CL 1.00E 1.00 0.00 0.00 0.00 0 35.4535486 -233957.972
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.888389093D+04 4.200642023D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.888389093D+04 4.200642023D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.888389093D+04 4.200642023D+00
CLCN Gurvich,1991 pt1 p230 pt2 p218
2 g 6/95 CL 1.00C 1.00N 1.00 0.00 0.00 0 61.4704000 134200.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10669.042
7.274043430D+04-1.297344947D+03 1.107676527D+01-1.108430216D-02 1.614009477D-05
-1.088916772D-08 2.830952246D-12 2.084388986D+04-3.597370046D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10669.042
3.467573120D+05-1.957857370D+03 8.807806150D+00-4.388362780D-04 1.024761895D-07
-1.110675026D-11 4.986179420D-16 2.581923944D+04-2.636885363D+01
CLF Gurvich,1989 pt1 p190 pt2 p97.
2 tpis89 CL 1.00F 1.00 0.00 0.00 0.00 0 54.4514032 -55700.993
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8908.107
3.352210810D+04-3.688311900D+02 4.272288620D+00 2.549434508D-03-4.456830890D-06
3.413854120D-09-9.838685200D-13 -5.839369690D+03 2.318014199D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8908.107
3.045867173D+06-9.979328260D+03 1.684162254D+01-7.465850620D-03 2.336213612D-06
-3.365865460D-10 1.763082415D-14 5.447120800D+04-8.707987094D+01
CLF3 Gurvich,1989 pt1 p193 pt2 p98.
2 tpis89 CL 1.00F 3.00 0.00 0.00 0.00 0 92.4482096 -164600.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13728.449
1.285175171D+05-2.140445721D+03 1.493096474D+01-6.042471040D-03 3.718968610D-06
-8.053201100D-10-7.985600530D-14 -1.138459640D+04-5.594838353D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13728.449
-2.294956235D+05-1.220741000D+02 1.009124644D+01-3.649724750D-05 8.058910750D-09
-9.230849950D-13 4.272569490D-17 -2.282840447D+04-2.511605479D+01
CLF5 Gurvich,1989 pt1 p194 pt2 p99.
2 tpis89 CL 1.00F 5.00 0.00 0.00 0.00 0 130.4450160 -238000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17930.396
2.459703939D+05-4.315348070D+03 2.727005972D+01-1.670193839D-02 1.421668208D-05
-6.426479740D-09 1.183099799D-12 -1.071423726D+04-1.267466837D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17930.396
-4.269327450D+05-2.058057390D+02 1.615465278D+01-6.212688180D-05 1.376637959D-08
-1.581335709D-12 7.336422490D-17 -3.361466600D+04-5.757531175D+01
CLO Gurvich,1989 pt1 p180 pt2 p90.
2 tpis89 CL 1.00O 1.00 0.00 0.00 0.00 0 51.4524000 101621.115
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9522.115
-1.687268145D+04 2.573812247D+02 2.175846120D+00 6.432061130D-03-8.568249500D-06
5.764971250D-09-1.545771209D-12 9.829518980D+03 1.386010503D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9522.115
4.093760520D+05-1.765985112D+03 7.087900630D+00-1.828450169D-03 7.103818100D-07
-1.209332942D-10 7.076441040D-15 2.151891784D+04-1.668645548D+01
CLO2 Gurvich,1989 pt1 p182 pt2 p91.
2 g 7/93 CL 1.00O 2.00 0.00 0.00 0.00 0 67.4518000 105000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10800.646
-1.127277696D+04 3.903032030D+02-3.843018530D-01 2.108677947D-02-2.793137755D-05
1.841289286D-08-4.839779150D-12 9.756933670D+03 2.913262700D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10800.646
-1.633793802D+05-3.161480670D+02 7.009787260D+00 2.837971144D-04-1.179925338D-07
2.920383252D-11-2.024030202D-15 1.184946452D+04-1.091168827D+01
CL2 Ref-Elm. Gurvich,1989 pt1 p177 pt2 p88.
2 tpis89 CL 2.00 0.00 0.00 0.00 0.00 0 70.9060000 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9181.110
3.462815170D+04-5.547126520D+02 6.207589370D+00-2.989632078D-03 3.173027290D-06
-1.793629562D-09 4.260043590D-13 1.534069331D+03-9.438331107D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9181.110
6.092569420D+06-1.949627662D+04 2.854535795D+01-1.449968764D-02 4.463890770D-06
-6.358525860D-10 3.327360290D-14 1.212117724D+05-1.690778824D+02
CL2O Gurvich,1989 pt1 p184 pt2 p92.
2 tpis89 CL 2.00O 1.00 0.00 0.00 0.00 0 86.9054000 79000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11695.482
7.798855400D+04-1.182537879D+03 9.526514660D+00-2.596163176D-03 8.696781310D-07
4.484098270D-10-3.044511967D-13 1.376729572D+04-2.484690718D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11695.482
-1.271743461D+05-6.741963220D+01 7.050022450D+00-1.988084386D-05 4.366209050D-09
-4.978580680D-13 2.295679186D-17 7.387289300D+03-8.797477254D+00
Co Hf:Hultgren,1973. Sugar,1985. Gordon,1999.
3 g 7/97 CO 1.00 0.00 0.00 0.00 0.00 0 58.9332000 428441.600
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6359.768
-2.598939184D+03 2.461989844D+02-6.106058370D-01 1.393005772D-02-2.210012979D-05
1.623755261D-08-4.534904351D-12 4.984613760D+04 2.257584199D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6359.768
1.381841305D+06-3.756036680D+03 6.657130650D+00-1.269246675D-03 1.464092329D-07
6.574946570D-12-1.102384178D-15 7.494442910D+04-2.258500836D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6359.768
-5.468015750D+08 4.037704950D+05-1.142413163D+02 1.663014422D-02-1.156228007D-06
3.862515150D-11-5.002032746D-16 -3.076031798D+06 1.003028648D+03
Co+ Sugar,1985. Gordon,1999.
3 g 7/97 CO 1.00E -1.00 0.00 0.00 0.00 0 58.9326514 1193003.307
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6291.507
1.028494160D+05-8.744731260D+02 4.279500280D+00 2.225857835D-03-7.457274570D-06
7.279221950D-09-2.347541963D-12 1.474895959D+05-5.679019220D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6291.507
2.907386174D+06-8.619705750D+03 1.188134934D+01-3.510647420D-03 5.748004680D-07
-2.534065135D-11 2.976607469D-16 1.977419221D+05-6.096533440D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6291.507
2.701785479D+09-1.604232092D+06 3.687314770D+02-4.041150820D-02 2.371848586D-06
-7.119952160D-11 8.635423717D-16 1.293631390D+07-3.201662470D+03
Co- Hotop,1985. Gordon,1999.
3 g 9/97 CO 1.00E 1.00 0.00 0.00 0.00 0 58.9337486 358414.372
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6306.772
3.459493760D+04-1.355041712D+02 1.116330898D+00 9.042761830D-03-1.454296726D-05
9.994940630D-09-2.595633259D-12 4.337037820D+04 1.270494975D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6306.772
-5.741394170D+05 1.763109207D+03 1.415561988D+00 3.776869690D-04-7.534179980D-08
7.995701540D-12-3.490440000D-16 3.083493114D+04 1.634360353D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6306.772
-7.121795840D+05 7.962447120D+02 2.328870839D+00 1.919463732D-05-1.179708474D-09
3.764228600D-14-4.875340940D-19 3.689285080D+04 9.511282720D+00
Cr Hf:Chase,1998 p963 6/79. Sugar,1985. Gordon,1999.
3 g 7/97 CR 1.00 0.00 0.00 0.00 0.00 0 51.9961000 397480.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.335658217D+03-2.102424026D+01 2.631908173D+00-4.246263250D-04 7.439194160D-07
-6.763931630D-10 2.507855625D-13 4.715866640D+04 6.005425450D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-1.120220789D+07 3.401163690D+04-3.657062170D+01 2.110296902D-02-5.518180140D-06
7.173601710D-10-3.505127367D-14 -1.688993440D+05 2.864481267D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
3.900886930D+09-2.462918543D+06 5.915632640D+02-6.697121640D-02 3.946957790D-06
-1.166504597D-10 1.367279456D-15 1.955381984D+07-5.133510550D+03
Cr+ Sugar,1985. Gordon,1999.
3 g 7/97 CR 1.00E -1.00 0.00 0.00 0.00 0 51.9955514 1056546.728
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.819187467D+02-2.188843517D+00 2.510676511D+00-2.706791825D-05 3.768492630D-08
-2.736784742D-11 8.115389932D-15 1.263380825D+05 6.506276170D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
3.342330790D+06-1.064261051D+04 1.557884307D+01-7.708971480D-03 2.158300274D-06
-2.368108110D-10 8.952805604D-15 1.932997670D+05-8.604356670D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
4.853867040D+08-4.114535830D+05 1.242898882D+02-1.610102894D-02 1.147677369D-06
-4.099673600D-11 5.728606039D-16 3.281645810D+06-1.034723629D+03
Cr- Hotop,1985. Gordon,1999.
3 g10/97 CR 1.00E 1.00 0.00 0.00 0.00 0 51.9966486 327023.428
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 3.858627870D+04 6.566835370D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 3.858627870D+04 6.566835370D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 3.858627870D+04 6.566835370D+00
CrN Chase,1998 p967.
2 j12/73 CR 1.00N 1.00 0.00 0.00 0.00 0 66.0028000 505008.800
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8777.789
-8.239129220D+03 3.008144202D+02 5.147874920D-01 1.129636791D-02-1.515183504D-05
1.010997229D-08-2.687775750D-12 5.845628120D+04 2.298028696D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8777.789
1.110672490D+06-3.690478540D+03 8.599056680D+00-2.125587223D-03 5.282358480D-07
-4.921139150D-11 1.404331106D-15 8.254804580D+04-2.799968411D+01
CrO Gurvich,1982 pt1 p13 pt2 p17.
3 tpis82 CR 1.00O 1.00 0.00 0.00 0.00 0 67.9955000 186581.318
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9849.118
9.373334110D+03 1.369743818D+02 1.621443428D+00 8.814095960D-03-1.232845360D-05
8.497960940D-09-2.315804197D-12 2.090948871D+04 1.781935787D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9849.118
1.092367332D+06-3.749758650D+03 9.007870210D+00-2.545445236D-03 6.928051680D-07
-6.390831950D-11 1.659741645D-15 4.447098210D+04-2.942600453D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9849.118
5.600191720D+08-3.409592350D+05 7.971428300D+01-7.045904880D-03 3.311256200D-07
-8.196877430D-12 8.487479810D-17 2.738393714D+06-6.629641700D+02
CrO2 Gurvich,1982 pt1 p16 pt2 p19.
2 tpis82 CR 1.00O 2.00 0.00 0.00 0.00 0 83.9949000 -108043.235
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10693.869
3.548629900D+04-2.298628537D+02 2.286289393D+00 1.616929338D-02-2.345198910D-05
1.631365714D-08-4.444269620D-12 -1.278912840D+04 1.442954956D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10693.869
-4.327109140D+05 1.915584657D+02 7.188247370D+00-5.694846190D-04 3.546366130D-07
-5.655123060D-11 2.908946349D-15 -1.743339545D+04-1.006424720D+01
CrO3 Gurvich,1982 pt1 p17 pt2 p20.
2 tpis82 CR 1.00O 3.00 0.00 0.00 0.00 0 99.9943000 -322037.084
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13040.072
4.183020060D+04-5.059348850D+02 4.432715670D+00 1.995079387D-02-2.920597649D-05
2.039330280D-08-5.580086630D-12 -3.769702400D+04 8.653827280D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13040.072
-6.283314010D+05 6.928158180D+02 8.971274600D+00 6.823365640D-04-2.235048825D-07
3.366785790D-11-1.614026492D-15 -4.723880200D+04-1.945305345D+01
CrO3- Gurvich,1982 pt1 p18 pt2 p21.
2 tpis82 CR 1.00O 3.00E 1.00 0.00 0.00 0 99.9948486 -632850.845
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13423.739
1.873455703D+05-2.300722991D+03 1.343953022D+01-1.663085846D-03-1.443973096D-06
2.045898933D-09-6.837555300D-13 -6.630111580D+04-4.930644200D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13423.739
-6.499682030D+05 4.522017620D+02 9.980575900D+00-4.214136730D-04 2.631277945D-07
-4.594543650D-11 2.659097549D-15 -8.350019730D+04-2.464810900D+01
Cs Hf:Cox,1989. Moore,1971. Moore,1970a. Gordon,1999.
3 g 7/97 CS 1.00 0.00 0.00 0.00 0.00 0 132.9054500 76500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
5.466584070D+01-8.279346040D-01 2.504942210D+00-1.494620690D-05 2.425976774D-08
-2.013172322D-11 6.704271991D-15 8.459321390D+03 6.848825772D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
6.166040900D+06-1.896175522D+04 2.483229903D+01-1.251977234D-02 3.309017390D-06
-3.354012020D-10 9.626500908D-15 1.285111231D+05-1.522942188D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-9.566231720D+08 4.321690420D+05-6.371801020D+01 5.246260580D-03-2.366560159D-07
5.848488480D-12-6.169370441D-17 -3.585268840D+06 6.156618174D+02
Cs+ Moore,1971. Gordon,1999.
3 g 1/98 CS 1.00E -1.00 0.00 0.00 0.00 0 132.9049014 458401.828
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 5.438737820D+04 6.182757992D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 5.438737820D+04 6.182757992D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-2.479469300D+08 1.405115456D+05-2.805027359D+01 3.087928133D-03-1.273598265D-07
-3.748818380D-13 1.214944533D-16 -1.072498017D+06 2.756827325D+02
Cs- Hotop,1985. Gordon,1999.
3 g10/97 CS 1.00E 1.00 0.00 0.00 0.00 0 132.9059986 24797.228
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.237029001D+03 6.182770382D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.237029001D+03 6.182770382D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.237029001D+03 6.182770382D+00
CsBO2 Gurvich,1982 pt1 p505 pt2 p526.
2 tpis82 CS 1.00B 1.00O 2.00 0.00 0.00 0 175.7152500 -686901.906
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14466.094
4.193609580D+04-6.664237400D+02 8.134835880D+00 2.902960302D-03-7.881467920D-07
-8.327694540D-10 4.441719110D-13 -8.122320070D+04-1.121622595D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14466.094
8.975579890D+04-1.656134283D+03 1.116468934D+01-4.476366990D-04 9.621091810D-08
-1.081470115D-11 4.938446740D-16 -7.610479670D+04-3.036616012D+01
CsBr Gurvich,1982 pt1 p490 pt2 p512.
2 tpis82 CS 1.00BR 1.00 0.00 0.00 0.00 0 212.8094500 -206828.875
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10406.125
1.639263647D+03-6.947477970D+01 4.860058720D+00-8.587780150D-04 1.375177550D-06
-9.891766980D-10 2.895433432D-13 -2.589550471D+04 4.465355690D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10406.125
-1.528329963D+05 1.259712657D+03 1.704268408D+00 2.776255318D-03-1.228389838D-06
2.698111786D-10-1.983534480D-14 -3.327842030D+04 2.484116659D+01
CsCL Gurvich,1982 pt1 p487 pt2 p509.
2 tpis82 CS 1.00CL 1.00 0.00 0.00 0.00 0 168.3584500 -242228.878
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10131.122
-2.538165292D+04 2.972839326D+02 2.667813848D+00 5.583272410D-03-8.529005090D-06
6.595191390D-09-1.989715823D-12 -3.189251450D+04 1.511365709D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10131.122
-3.674923480D+06 1.186152941D+04-1.063287842D+01 9.804117920D-03-3.277797460D-06
5.534233390D-10-3.401231500D-14 -1.048658658D+05 1.114096064D+02
CsF Gurvich,1982 pt1 p483 pt2 p506.
2 tpis82 CS 1.00F 1.00 0.00 0.00 0.00 0 151.9038532 -364214.884
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9645.116
1.843685799D+04-4.042409390D+02 6.383178860D+00-4.674323370D-03 6.630134010D-06
-4.760905530D-09 1.374569797D-12 -4.318489590D+04-7.226593230D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9645.116
-1.850863231D+06 5.625298800D+03-2.250022212D+00 4.109243540D-03-1.250243837D-06
1.941483152D-10-1.071166179D-14 -8.079827790D+04 5.135559450D+01
CsH Gurvich,1982 pt1 p477 pt2 p501.
2 tpis82 CS 1.00H 1.00 0.00 0.00 0.00 0 133.9133900 115950.106
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8846.106
1.620544411D+04-7.087016280D+01 2.480847135D+00 7.021985990D-03-1.007126309D-05
7.090639030D-09-1.950395735D-12 1.342777328D+04 9.894247170D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8846.106
-9.112146650D+05 3.576472750D+03-1.258058765D+00 4.314855150D-03-1.407820502D-06
2.154598897D-10-1.254525606D-14 -9.158717270D+03 3.908800030D+01
CsI Gurvich,1982 pt1 p494 pt2 p515.
2 tpis82 CS 1.00I 1.00 0.00 0.00 0.00 0 259.8099200 -152319.873
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10550.127
-4.072685650D+03 2.330073667D+01 4.387277690D+00 3.412084290D-04-2.175588153D-07
8.906787000D-11-2.182639837D-15 -1.978766885D+04 8.074657820D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10550.127
4.511259050D+06-1.341706362D+04 1.980984712D+01-8.359855550D-03 2.348201245D-06
-2.874285248D-10 1.208087750D-14 6.573439130D+04-1.021032592D+02
CsLi Gurvich,1982 pt1 p505 pt2 p527.
2 tpis82 CS 1.00LI 1.00 0.00 0.00 0.00 0 139.8464500 162146.324
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10341.124
1.368709568D+03-7.451297060D+01 4.845620930D+00-5.573667210D-04 4.953326760D-07
4.369068910D-10-4.608145770D-13 1.850577392D+04 2.112012017D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10341.124
7.481630230D+06-2.885297839D+04 4.631104990D+01-2.784288108D-02 8.787413490D-06
-1.264901197D-09 6.720186280D-14 1.945137819D+05-2.857846194D+02
CsNO2 Gurvich,1982 pt1 p499 pt2 p520.
2 tpis82 CS 1.00N 1.00O 2.00 0.00 0.00 0 178.9109500 -210339.828
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15980.172
-7.106010440D+04 1.272448257D+03-2.447362349D+00 3.064441948D-02-3.699225940D-05
2.259121812D-08-5.580635910D-12 -3.313370920D+04 4.954693336D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15980.172
-1.633503154D+05-8.468879580D+02 1.062853461D+01-2.508799215D-04 5.541255770D-08
-6.355591950D-12 2.946880031D-16 -2.403040739D+04-2.443488888D+01
CsNO3 Gurvich,1982 pt1 p501 pt2 p522.
2 tpis82 CS 1.00N 1.00O 3.00 0.00 0.00 0 194.9103500 -318486.390
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16563.610
-2.677219779D+04 9.011692690D+02-3.265340820D+00 4.298377700D-02-5.386751380D-05
3.384527520D-08-8.565223660D-12 -4.405304140D+04 5.118862689D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16563.610
-3.147517676D+05-1.367011655D+03 1.401012848D+01-4.018647130D-04 8.853614700D-08
-1.013466457D-11 4.691758730D-16 -3.549026670D+04-4.500692791D+01
CsNa Gurvich,1982 pt1 p506 pt2 p528.
2 tpis82 CS 1.00NA 1.00 0.00 0.00 0.00 0 155.8952200 125907.329
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10702.129
2.521738609D+04-4.295362490D+02 7.223094740D+00-8.460463000D-03 1.443905157D-05
-1.143624855D-08 3.183721930D-12 1.579099265D+04-8.838790300D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10702.129
3.879556790D+06-1.780167288D+04 3.491355800D+01-2.320080793D-02 7.861975840D-06
-1.171011257D-09 6.323927370D-14 1.195776556D+05-2.001754433D+02
CsO Gurvich,1982 pt1 p471 pt2 p493.
2 tpis82 CS 1.00O 1.00 0.00 0.00 0.00 0 148.9048500 37587.318
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9835.118
8.683958810D+03 4.250278170D+02-3.484055300D+00 3.801969830D-02-6.651927560D-05
5.173472190D-08-1.512567066D-11 1.969690015D+03 4.240796140D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9835.118
8.375544350D+05-2.418205772D+03 8.908065350D+00-3.378180040D-03 1.312755917D-06
-2.150508925D-10 1.219138980D-14 1.809493447D+04-2.460858580D+01
CsOH Gurvich,1997.
2 g 9/97 CS 1.00O 1.00H 1.00 0.00 0.00 0 149.9127900 -256000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11834.689
9.386960790D+03-5.009354260D+02 8.301351980D+00-3.235596840D-03 2.612406777D-06
-4.950613410D-10-1.038364927D-13 -3.025722427D+04-1.742194837D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11834.689
8.967171130D+05-2.323978587D+03 7.959644870D+00 1.101149275D-04-6.466013970D-08
1.045968201D-11-5.822514170D-16 -1.736258234D+04-1.864239624D+01
CsRb Gurvich,1982 pt1 p508 pt2 p530.
2 tpis82 CS 1.00RB 1.00 0.00 0.00 0.00 0 218.3732500 111477.332
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10972.132
-4.910922680D+03-9.209015550D+00 5.193377890D+00-4.390246990D-03 1.254790436D-05
-1.414878514D-08 5.101441310D-12 1.200498171D+04 5.361542930D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10972.132
-1.328693378D+07 3.414579470D+04-2.373696406D+01 7.070465400D-03 3.863450970D-07
-3.158132986D-10 2.667747207D-14 -2.124008997D+05 2.239970251D+02
Cs2 Gurvich,1982 pt1 p467 pt2 p492.
2 tpis82 CS 2.00 0.00 0.00 0.00 0.00 0 265.8109000 109404.333
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11029.133
-4.674158730D+04 5.952019510D+02 1.895333975D+00 4.082065810D-03 2.531487119D-06
-9.085139030D-09 4.290179930D-12 8.857282570D+03 2.391592727D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11029.133
-2.592739590D+07 7.539818910D+04-7.484086800D+01 3.692866790D-02-8.082497240D-06
8.171850730D-10-3.089285900D-14 -4.715045720D+05 5.860933750D+02
Cs2Br2 Gurvich,1982 pt1 p491 pt2 p513.
2 tpis82 CS 2.00BR 2.00 0.00 0.00 0.00 0 425.6189000 -565828.869
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22113.130
-6.321285180D+03-1.213153529D+01 1.004967112D+01-1.102100044D-04 1.365293456D-07
-8.856957070D-11 2.339447704D-14 -7.099771710D+04-7.539424790D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22113.130
-7.545846650D+03-2.087093009D-01 1.000018042D+01-8.034260730D-08 1.923604258D-11
-2.344698140D-15 1.139365834D-19 -7.105883540D+04-7.251793040D+00
Cs2CO3 Gurvich,1982 pt1 p503 pt2 p524.
2 tpis82 CS 2.00C 1.00O 3.00 0.00 0.00 0 325.8198000 -806447.939
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21179.061
-4.673130000D+04 9.436549060D+02-2.374670436D-01 4.168484610D-02-5.094372210D-05
3.132078394D-08-7.780421670D-12 -1.039162411D+05 4.055853980D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21179.061
-3.037149985D+05-1.517078400D+03 1.711941656D+01-4.449700120D-04 9.798325240D-08
-1.121256063D-11 5.189734780D-16 -9.420414770D+04-5.682006260D+01
Cs2CL2 Gurvich,1982 pt1 p487 pt2 p510.
2 tpis82 CS 2.00CL 2.00 0.00 0.00 0.00 0 336.7169000 -644658.398
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20944.712
-1.077956357D+04-5.346106950D+01 1.021710683D+01-4.789687030D-04 5.908946530D-07
-3.821416520D-10 1.006995985D-13 -8.029515170D+04-1.207856486D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20944.712
-1.625143966D+04-9.006137350D-01 1.000077173D+01-3.416194080D-07 8.144968080D-11
-9.897475280D-15 4.798330810D-19 -8.056513220D+04-1.081977337D+01
Cs2F2 Gurvich,1982 pt1 p484 pt2 p507.
2 tpis82 CS 2.00F 2.00 0.00 0.00 0.00 0 303.8077064 -891858.506
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19388.600
-9.942677480D+03-2.536723355D+02 1.100684073D+01-2.185640152D-03 2.664791874D-06
-1.708229209D-09 4.471151980D-13 -1.090582601D+05-2.000699602D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19388.600
-3.677946420D+04-4.355753480D+00 1.000366687D+01-1.603814186D-06 3.791469740D-10
-4.578687430D-14 2.209385787D-18 -1.103456448D+05-1.415086452D+01
Cs2I2 Gurvich,1982 pt1 p495 pt2 p516.
2 tpis82 CS 2.00I 2.00 0.00 0.00 0.00 0 519.6198400 -454033.097
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22584.903
-4.449286970D+03-5.321793660D+00 1.002183919D+01-4.853374850D-05 6.019338400D-08
-3.908226390D-11 1.032981014D-14 -5.757823380D+04-5.271267090D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22584.903
-4.983376010D+03-9.461179880D-02 1.000008229D+01-3.680962040D-08 8.844660910D-12
-1.081178562D-15 5.266141980D-20 -5.760501040D+04-5.144864890D+00
Cs2O Gurvich,1982 pt1 p473 pt2 p496.
2 tpis82 CS 2.00O 1.00 0.00 0.00 0.00 0 281.8103000 -142855.345
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14089.855
1.910533804D+04-4.962181530D+02 8.759606300D+00-3.511622790D-03 4.016479830D-06
-2.450899853D-09 6.172404890D-13 -1.677664956D+04-1.159258822D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14089.855
-4.119147410D+04-1.079255391D+01 7.008500470D+00-3.542955780D-06 8.081699120D-10
-9.499419930D-14 4.489122540D-18 -1.934377850D+04-1.203970450D+00
Cs2O+ Gurvich,1982 pt1 p474 pt2 p497.
2 tpis82 CS 2.00O 1.00E -1.00 0.00 0.00 0 281.8097514 283699.926
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14447.726
6.837056090D+02-2.435575007D+02 7.783037470D+00-1.414552725D-03 1.470799739D-06
-8.218821330D-10 1.911749489D-13 3.324194870D+04-4.750423560D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14447.726
-3.153085844D+04-5.771559030D+00 7.004482630D+00-1.848241331D-06 4.180882300D-10
-4.882376270D-14 2.295419936D-18 3.196227310D+04-5.434350690D-02
Cs2O2 Gurvich,1982 pt1 p476 pt2 p499.
2 tpis82 CS 2.00O 2.00 0.00 0.00 0.00 0 297.8097000 -247069.104
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17426.496
2.274505180D+04-5.667912570D+02 1.001728332D+01 2.547081016D-03-4.909216690D-06
3.848788910D-09-1.124566008D-12 -2.947334360D+04-1.841275291D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17426.496
-1.190032094D+05-9.261075260D+01 1.006915777D+01-2.766227147D-05 6.110752960D-09
-7.003595480D-13 3.243742520D-17 -3.255610740D+04-1.724868948D+01
Cs2O2H2 Gurvich,1997.
2 g 9/97 CS 2.00O 2.00H 2.00 0.00 0.00 0 299.8255800 -653000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23937.353
-1.085981041D+04-6.883068420D+02 1.643543354D+01-4.039220580D-03 2.331117156D-06
8.439651630D-10-6.859309730D-13 -7.939476230D+04-4.906196810D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23937.353
1.802857941D+06-4.656354750D+03 1.693566597D+01 2.117402535D-04-1.272249096D-07
2.066555839D-11-1.152390667D-15 -5.190813690D+04-5.849719160D+01
Cs2SO4 Gurvich,1982 pt1 p497 pt2 p518.
2 g10/99 CS 2.00S 1.00O 4.00 0.00 0.00 0 361.8735000 -1117651.834
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23988.166
6.153637870D+04-6.381374330D+02 6.894772090D+00 3.960182910D-02-5.529862010D-05
3.736332520D-08-9.973241830D-12 -1.339760310D+05-1.284432588D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23988.166
-5.223397520D+05-9.444155250D+02 1.970476453D+01-2.821225990D-04 6.240792280D-08
-7.163464070D-12 3.322667190D-16 -1.364179983D+05-6.820406795D+01
Cu Hf:Cox,1989. Sugar,1990. Gordon,1999.
3 g12/97 CU 1.00 0.00 0.00 0.00 0.00 0 63.5460000 337400.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
7.713133150D+01-1.169236206D+00 2.506987803D+00-2.116434879D-05 3.441714710D-08
-2.862608999D-11 9.559250991D-15 3.983981210D+04 5.730813220D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
2.308090411D+06-8.503261000D+03 1.467859102D+01-8.467136520D-03 2.887821016D-06
-4.270659180D-10 2.304265084D-14 9.207535620D+04-7.854701560D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-6.490595890D+08 4.240323360D+05-1.028965806D+02 1.297259934D-02-7.766697680D-07
2.220446727D-11-2.441532031D-16 -3.305304580D+06 9.198622920D+02
Cu+ Sugar,1990. Gordon,1999.
3 g 3/98 CU 1.00E -1.00 0.00 0.00 0.00 0 63.5454514 1089079.728
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-2.452340093D-03 2.606893531D-05 2.499999890D+00 2.351922485D-10-2.669362382D-13
1.510315123D-16-3.278224814D-20 1.302400621D+05 5.075940770D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-2.181443016D+06 7.217858190D+03-6.941154750D+00 6.208248920D-03-2.139340497D-06
3.566431440D-10-2.081198501D-14 8.516456660D+04 7.116800670D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
2.994686480D+09-1.831416099D+06 4.294926960D+02-4.801927720D-02 2.836504248D-06
-8.452189040D-11 1.013018211D-15 1.468809255D+07-3.729918010D+03
Cu- Hotop,1985. Gordon,1999.
3 g10/97 CU 1.00E 1.00 0.00 0.00 0.00 0 63.5465486 212718.628
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.483864954D+04 5.075966030D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.483864954D+04 5.075966030D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.483864954D+04 5.075966030D+00
CuCL Chase,1998 p748.
2 j 3/66 CU 1.00CL 1.00 0.00 0.00 0.00 0 98.9990000 91090.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9471.175
1.469847736D+04-3.393167250D+02 5.723459590D+00-2.417296132D-03 2.858019864D-06
-1.757900548D-09 4.455047290D-13 1.131714015D+04-4.527352594D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9471.175
-2.577122410D+04-7.106346060D+00 4.505623180D+00 5.394548270D-05 5.386417960D-10
-6.348482770D-14 3.006622062D-18 9.566192870D+03 2.680067564D+00
CuF Chase,1998 p1013.
2 j12/77 CU 1.00F 1.00 0.00 0.00 0.00 0 82.5444032 -12550.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9083.091
3.761385410D+04-5.468104900D+02 5.832351720D+00-1.695312068D-03 1.218150880D-06
-3.713285280D-10 2.002276589D-14 5.865140720D+01-7.156930090D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9083.091
5.094154830D+05-1.415009870D+03 5.632349380D+00-1.629128410D-04-1.156611499D-07
5.066034080D-11-4.153205110D-15 6.305506600D+03-7.407773610D+00
CuF2 Chase,1998 p1017.
2 j12/77 CU 1.00F 2.00 0.00 0.00 0.00 0 101.5428064 -266940.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12055.910
6.573311280D+04-8.962430840D+02 7.917560940D+00 1.345667904D-03-4.162400010D-06
3.716181090D-09-1.155537597D-12 -2.916887325D+04-1.587076153D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12055.910
-1.650355082D+06 3.775362120D+03 3.889116550D+00 6.821912640D-04 1.875979026D-07
-5.677368110D-11 3.823248730D-15 -5.953371700D+04 1.522659664D+01
CuO Chase,1998 p1020.
2 j12/77 CU 1.00O 1.00 0.00 0.00 0.00 0 79.5454000 306270.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9750.939
4.689762240D+03-1.184808464D+02 4.566155240D+00 4.309058020D-04-8.309886400D-07
6.946638020D-10-2.108693366D-13 3.615190680D+04 1.733847344D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9750.939
3.582280170D+05-9.139366410D+02 5.136898670D+00 6.240577240D-05-1.558613495D-07
5.236803120D-11-4.026745620D-15 4.150792860D+04-2.634070960D+00
Cu2 Chase,1998 p1022.
2 j 9/66 CU 2.00 0.00 0.00 0.00 0.00 0 127.0920000 485340.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9930.154
-8.529183480D+02-9.720044930D+01 4.882233700D+00-7.371369400D-04 1.000575401D-06
-6.391989440D-10 1.668655797D-13 5.749307020D+04 1.105391325D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9930.154
-8.699399500D+04 3.209103870D+02 3.973802880D+00 5.080809670D-04-1.707470385D-07
3.219108190D-11-1.958830868D-15 5.506090190D+04 6.914502170D+00
Cu3CL3 Chase,1998 p874.
2 j 3/66 CU 3.00CL 3.00 0.00 0.00 0.00 0 296.9970000 -258570.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 28723.690
4.487885320D+03-8.736644440D+02 1.936189091D+01-7.137447860D-03 8.560454870D-06
-5.419978740D-09 1.405175350D-12 -3.162689960D+04-5.976797945D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 28723.690
-9.188559680D+04-1.571936430D+01 1.601294170D+01-5.572992370D-06 1.302748507D-09
-1.560175322D-13 7.480827570D-18 -3.608760740D+04-4.013211395D+01
D D0(D2): Herzberg,1970. Moore,1972. Gordon,1999.
3 g 6/97 D 1.00 0.00 0.00 0.00 0.00 0 2.0141020 221720.228
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.592128700D+04 5.917143380D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
6.050019210D+01-1.810766064D-01 2.500210817D+00-1.220711706D-07 3.715172170D-11
-5.660680210D-15 3.393920393D-19 2.592243752D+04 5.902125370D-01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
2.169259778D+08-1.309309862D+05 3.392595050D+01-3.805973810D-03 2.427699393D-07
-7.677967800D-12 9.624191177D-17 1.065922040D+06-2.726201602D+02
D+ Moore,1972. Gordon,1999.
3 g 9/96 D 1.00E -1.00 0.00 0.00 0.00 0 2.0135534 1540324.328
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.845120037D+05-1.018414521D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.845120037D+05-1.018414521D-01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.845120037D+05-1.018414521D-01
D- Hotop,1985. Gordon,1999.
3 g 8/96 D 1.00E 1.00 0.00 0.00 0.00 0 2.0146506 142752.728
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.642373393D+04-1.010243437D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.642373393D+04-1.010243437D-01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.642373393D+04-1.010243437D-01
DBr Gurvich,1989 pt1 p206 pt2 p107.
2 tpis89 D 1.00BR 1.00 0.00 0.00 0.00 0 81.9181020 -37036.496
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8668.104
-1.918282458D+04 2.020175399D+02 3.044629038D+00-1.488157450D-03 6.870897800D-06
-6.591160280D-09 2.093769216D-12 -6.560074400D+03 8.008690040D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8668.104
6.654000440D+05-2.594092228D+03 6.885879400D+00-1.103284901D-03 2.894201105D-07
-3.152037514D-11 1.011011776D-15 1.037813140D+04-1.973703653D+01
DCL Gurvich,1989 pt1 p188 pt2 p95.
2 tpis89 D 1.00CL 1.00 0.00 0.00 0.00 0 37.4671020 -93547.003
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8661.104
1.046421033D+04-2.313813446D+02 5.420693260D+00-7.508012650D-03 1.398672495D-05
-1.066249569D-08 3.011167635D-12 -1.128403374D+04-6.711842349D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8661.104
4.117284900D+05-1.764535217D+03 5.668877100D+00-3.475964170D-04 5.882688030D-08
3.760253130D-13-5.164600560D-16 -1.541258092D+03-1.275659404D+01
DF Gurvich,1989 pt1 p172 pt2 p80.
3 tpis89 D 1.00F 1.00 0.00 0.00 0.00 0 21.0125052 -276227.596
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8638.104
5.721370750D+04-7.311733800D+02 7.220870870D+00-9.423969350D-03 1.208025139D-05
-6.941812690D-09 1.538525476D-12 -3.069230024D+04-1.932760992D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8638.104
8.001172800D+05-2.438386832D+03 5.620664450D+00-2.020416838D-04 1.714418979D-08
2.697462563D-12-2.888297410D-16 -1.857447029D+04-1.473004444D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8638.104
1.924190104D+08-9.333761700D+04 1.929651319D+01-6.429319300D-04-1.978551386D-08
1.730048706D-12-3.030499069D-17 7.325924600D+05-1.428958225D+02
DOCL D0 estimated from HOCL. Jacox,1998 p155.
2 g 1/01 D 1.00O 1.00CL 1.00 0.00 0.00 0 53.4665020 -79538.686
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10324.814
6.852834290D+04-7.673444550D+02 5.933970140D+00 2.868820667D-03-5.207166370D-06
4.927572740D-09-1.709526276D-12 -6.824035050D+03-7.757833983D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10324.814
6.043066330D+05-2.646500381D+03 8.612474210D+00-5.532268240D-04 1.086845232D-07
-1.137381290D-11 4.904295520D-16 4.845795180D+03-2.588861801D+01
DO2 Gurvich,1989 pt1 p138 pt2 p49.
2 tpis89 D 1.00O 2.00 0.00 0.00 0.00 0 34.0129020 6487.344
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10065.344
-2.111479735D+04 6.023371750D+02-1.294877674D+00 1.812947970D-02-2.161807666D-05
1.391729127D-08-3.697740280D-12 -2.976943856D+03 3.272834480D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10065.344
-1.267224927D+06 2.799947016D+03 2.325174609D+00 2.726325070D-03-6.314507320D-07
6.729289200D-11-2.765192818D-15 -1.959411733D+04 1.789922833D+01
DO2- Gurvich,1989 pt1 p139 pt2 p50.
2 tpis89 D 1.00O 2.00E 1.00 0.00 0.00 0 34.0134506 -104795.510
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10079.890
1.048705051D+05-8.906236770D+02 5.666553560D+00 1.904603784D-03-1.215263210D-06
6.577513330D-10-2.147376147D-13 -8.942377250D+03-7.797219200D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10079.890
5.527661920D+05-2.796895783D+03 8.772206670D+00-6.291116630D-04 1.272331622D-07
-1.364440687D-11 6.005199440D-16 2.512066767D+03-2.890020381D+01
D2 Ref-Species. Gurvich,1989 pt1 p134 pt2 p45.
3 tpis89 D 2.00 0.00 0.00 0.00 0.00 0 4.0282040 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8569.103
2.125790482D+04-2.996945907D+02 5.130314980D+00-4.172970890D-03 5.014345720D-06
-2.126389969D-09 2.386536969D-13 3.944985900D+02-1.164191209D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8569.103
8.215168560D+05-2.365623159D+03 5.342974510D+00 6.928145990D-05-8.523671020D-08
2.456447415D-11-1.960597698D-15 1.434214587D+04-1.712600356D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8569.103
4.899848740D+08-3.112892916D+05 7.945961340D+01-8.425828740D-03 4.789458020D-07
-1.390917969D-11 1.637606941D-16 2.460108052D+06-6.637009520D+02
D2+ Chase,1998 p1041.
2 j 9/77 D 2.00E -1.00 0.00 0.00 0.00 0 4.0276554 1498568.325
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8651.000
-9.640959090D+04 1.243052385D+03-2.557714366D+00 1.343064234D-02-1.285600289D-05
6.463421670D-09-1.337616868D-12 1.730966171D+05 3.356314920D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8651.000
9.255951350D+05-4.505219940D+03 1.103203365D+01-4.706089030D-03 1.838068460D-06
-3.135924623D-10 1.857684975D-14 2.058298890D+05-5.283912240D+01
D2- Chase,1998 p1042.
2 j 9/77 D 2.00E 1.00 0.00 0.00 0.00 0 4.0287526 235160.621
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8713.851
-4.365332060D+03 3.112987057D+02 5.481950030D-01 9.956988110D-03-1.167000612D-05
6.975656410D-09-1.682718179D-12 2.597897625D+04 1.442223161D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8713.851
-5.798805190D+04-3.122959355D+02 4.730388280D+00 5.695900800D-05 2.018975430D-08
-2.311492448D-12 1.070266527D-16 2.851200896D+04-9.157527920D+00
D2O Gurvich,1989 pt1 p142 pt2 p51.
2 g 6/99 D 2.00O 1.00 0.00 0.00 0.00 0 20.0276040 -249210.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9960.017
6.958278470D+03-1.280889437D+01 3.595878870D+00 1.502093683D-03 3.594675050D-07
5.340417200D-10-5.181941270D-13 -3.101944566D+04 2.895556576D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9960.017
1.544193253D+06-5.474238900D+03 1.017542424D+01-9.619415540D-04 2.036545675D-07
-2.050566442D-11 8.510770690D-16 2.983248980D+03-4.465011570D+01
D2O2 Gurvich,1989 pt1 p142 pt2 p52.
2 g 6/99 D 2.00O 2.00 0.00 0.00 0.00 0 36.0270040 -144300.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11565.639
2.957711324D+04-6.893037570D+01 2.043905473D+00 1.570281822D-02-1.935478714D-05
1.384941336D-08-4.104184900D-12 -1.802502679D+04 1.347156482D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11565.639
1.147867936D+06-5.225760930D+03 1.311088701D+01-1.179811896D-03 2.729336904D-07
-2.961433535D-11 1.310306129D-15 1.219580532D+04-5.690538200D+01
D2S Miller,1967. H2S data.
2 g 6/01 D 2.00S 1.00 0.00 0.00 0.00 0 36.0932040 -24006.550
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10088.553
3.988386480D+03-6.620792560D+01 4.393354450D+00-2.325113084D-03 1.189503465D-05
-1.146524521D-08 3.626190450D-12 -3.787385550D+03 9.238754375D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10088.553
4.235814630D+05-2.823776231D+03 8.962821840D+00-6.469231230D-04 1.634615644D-07
-1.797991376D-11 8.160939570D-16 1.204603509D+04-3.191047376D+01
F Hf:Cox,1989. Moore,1971. Moore,1970a. Gordon,1999.
3 g 5/97 F 1.00 0.00 0.00 0.00 0.00 0 18.9984032 79380.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6518.460
1.137409088D+03-1.453392797D+02 4.077403610D+00-4.303360140D-03 5.728897740D-06
-3.819312900D-09 1.018322509D-12 9.311110120D+03-3.558982650D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6518.460
1.473506226D+04 8.149927360D+01 2.444371819D+00 2.120210026D-05-4.546918620D-09
5.109528730D-13-2.333894647D-17 8.388374650D+03 5.478710640D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6518.460
-2.926724756D+07 1.775674924D+04-1.814463258D+00 5.351200280D-04-3.513620800D-08
1.101519690D-12-1.061293837D-17 -1.319642721D+05 4.248814560D+01
F+ Moore,1971. Moore,1970a. Gordon,1999.
3 g 3/97 F 1.00E -1.00 0.00 0.00 0.00 0 18.9978546 1766816.332
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6710.732
-3.871680190D+04 3.218815660D+02 2.200920452D+00-2.455492688D-04 7.858355060D-07
-6.435987920D-10 1.839793564D-13 2.098830937D+05 7.816999240D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6710.732
1.649635664D+04 1.337351478D+02 2.332522942D+00 1.215277877D-04-4.801037700D-08
9.027225150D-12-5.470664940D-16 2.110745327D+05 6.625817090D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6710.732
7.599619330D+06-1.391106563D+03 1.714871534D+00 2.428311844D-04-1.894860146D-08
6.420828070D-13-8.257979730D-18 2.269126001D+05 1.102848944D+01
F- Hotop,1985. Gordon,1999.
3 g 1/98 F 1.00E 1.00 0.00 0.00 0.00 0 18.9989518 -255092.072
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.142572443D+04 3.264882710D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.142572443D+04 3.264882710D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.142572443D+04 3.264882710D+00
FCN Gurvich,1991 pt1 p229 pt2 p217.
2 g 5/99 F 1.00C 1.00N 1.00 0.00 0.00 0 45.0158032 34327.854
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10128.960
3.984454120D+04-6.988655360D+02 7.058839660D+00-1.404863382D-03 3.964652510D-06
-3.045609294D-09 7.923045900D-13 6.172627570D+03-1.505643174D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10128.960
3.981873550D+05-2.302971079D+03 9.027081390D+00-5.228710260D-04 1.191059272D-07
-1.280287231D-11 5.733807190D-16 1.588449451D+04-2.984971982D+01
FCO Hf:Gurvich,1991 pt1 p87. Jacox,1998 p193.
2 g12/99 F 1.00C 1.00O 1.00 0.00 0.00 0 47.0085032 -179418.150
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10387.955
1.132662744D+04-5.397918500D+01 2.966927601D+00 7.559959350D-03-6.211773580D-06
2.403781550D-09-3.369507750D-13 -2.240369579D+04 1.092652142D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10387.955
-6.085851580D+04-1.022397533D+03 7.527322560D+00-1.057942328D-04-1.365311093D-09
2.484612871D-12-9.997916800D-17 -1.805098416D+04-1.630331278D+01
FO Chase,1996b p582.
2 j 9/95 F 1.00O 1.00 0.00 0.00 0.00 0 34.9978032 109012.100
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9388.000
-3.912182440D+04 7.967036940D+02-1.634777767D+00 1.601810071D-02-2.095210771D-05
1.382740666D-08-3.664524950D-12 8.375525230D+03 3.383325720D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9388.000
-1.597940503D+06 4.377376380D+03-4.897507640D-01 2.682336321D-03-6.900804850D-07
7.246479680D-11-2.726912632D-15 -1.644248211D+04 3.559923610D+01
FO2,FOO Chase,1996b p582.
2 j 9/95 F 1.00O 2.00 0.00 0.00 0.00 0 50.9972032 25400.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11255.812
5.821564000D+03-2.347363967D+02 5.437338760D+00 2.165855252D-03 3.671472190D-07
-2.071530827D-09 9.431066850D-13 2.694856027D+03-1.168202057D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11255.812
-1.213166895D+06 2.493397189D+03 4.465065740D+00 9.416104040D-04-6.426472260D-08
-1.085643277D-11 1.216995394D-15 -1.596800286D+04 8.655193180D+00
FO2,OFO Chase,1996b p583.
2 j 9/95 F 1.00O 2.00 0.00 0.00 0.00 0 50.9972032 378600.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10538.382
-7.734106400D+04 1.663800209D+03-9.612815160D+00 4.989156870D-02-6.946217130D-05
4.707787800D-08-1.258890729D-11 3.697092730D+04 7.795943040D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10538.382
-6.211867340D+05 9.369474590D+02 6.401558750D+00 2.136110846D-04-4.337977650D-08
4.667312240D-12-2.059767432D-16 3.638357270D+04-6.150264330D+00
F2 Ref-Elm. Gurvich,1989. pt1 p157 pt2 p73.
2 tpis89 F 2.00 0.00 0.00 0.00 0.00 0 37.9968064 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8825.106
1.018176308D+04 2.274241183D+01 1.971353040D+00 8.151604010D-03-1.148960090D-05
7.958652530D-09-2.167079526D-12 -9.586943000D+02 1.130600296D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8825.106
-2.941167790D+06 9.456597700D+03-7.738616150D+00 7.644712990D-03-2.241007605D-06
2.915845236D-10-1.425033974D-14 -6.071005610D+04 8.423835080D+01
F2O Gurvich,1989 pt1 p161 pt2 p76.
2 g 4/99 F 2.00O 1.00 0.00 0.00 0.00 0 53.9962064 24500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10911.521
3.082919995D+04-2.299506259D+02 2.603805825D+00 1.586111264D-02-2.345633734D-05
1.679619314D-08-4.703560330D-12 3.055185332D+03 1.050933022D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10911.521
-1.885374518D+05-2.100729689D+02 7.151239160D+00 1.327687906D-04 1.804705706D-08
-1.416973671D-12 6.489389390D-17 1.449129965D+03-1.257858336D+01
F2O2 FOOF. Chase,1996b p585.
2 j 9/95 F 2.00O 2.00 0.00 0.00 0.00 0 69.9956064 19200.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13778.453
5.612270460D+04-9.985952230D+02 8.980649390D+00 6.421900870D-03-9.888516020D-06
6.858061010D-09-1.842137493D-12 5.298712590D+03-2.239292195D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13778.453
-2.190563532D+05-3.910920810D+02 1.029107144D+01-1.163345202D-04 2.570922521D-08
-2.949199983D-12 1.367386916D-16 8.278020940D+02-2.756752555D+01
FS2F Difluorodisulfane. Chase,1998 p1146.
2 j 6/76 F 2.00S 2.00 0.00 0.00 0.00 0 102.1268064 -336435.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14595.300
1.144462280D+05-1.853247564D+03 1.394098518D+01-4.043689370D-03 1.370970316D-06
6.711903100D-10-4.624954960D-13 -3.351068330D+04-4.849215357D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14595.300
-2.077097921D+05-1.094539831D+02 1.008136946D+01-3.239537910D-05 7.125225270D-09
-8.134787410D-13 3.755022410D-17 -4.349446060D+04-2.346916058D+01
Fe Hf:Hultgren,1973. Sugar,1985. Gordon,1999.
3 g 5/97 FE 1.00 0.00 0.00 0.00 0.00 0 55.8450000 415471.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6850.327
6.790822660D+04-1.197218407D+03 9.843393310D+00-1.652324828D-02 1.917939959D-05
-1.149825371D-08 2.832773807D-12 5.466995940D+04-3.383946260D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6850.327
-1.954923682D+06 6.737161100D+03-5.486410970D+00 4.378803450D-03-1.116286672D-06
1.544348856D-10-8.023578182D-15 7.137370060D+03 6.504979860D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6850.327
1.216352511D+09-5.828563930D+05 9.789634510D+01-5.370704430D-03 3.192037920D-08
6.267671430D-12-1.480574914D-16 4.847648290D+06-8.697289770D+02
Fe+ Sugar,1985. Gordon,1999.
3 g 3/98 FE 1.00E -1.00 0.00 0.00 0.00 0 55.8444514 1184217.849
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6935.749
-5.691231620D+04 1.847134390D+02 4.196972120D+00-5.978275970D-03 1.054267912D-05
-8.059804320D-09 2.256925874D-12 1.401206571D+05-3.602542580D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6935.749
-8.176450090D+05 1.925359408D+03 1.717387154D+00 3.385338980D-04-9.813533120D-08
2.228179208D-11-1.483964439D-15 1.286352466D+05 1.500256262D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6935.749
1.065217491D+08-2.883923997D+04-2.821752459D+00 2.712846797D-03-3.107069182D-07
1.543726493D-11-2.725133516D-16 4.142981690D+05 4.053497330D+01
Fe- Hotop,1985. Gordon,1999.
3 g 9/97 FE 1.00E 1.00 0.00 0.00 0.00 0 55.8455486 393338.036
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6641.836
1.341276767D+05-1.775438064D+03 1.084366935D+01-1.499440282D-02 1.412129744D-05
-6.942189050D-09 1.410953082D-12 5.519472530D+04-4.140886490D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6641.836
-1.237808631D+05 8.249279070D+02 1.912936452D+00 2.280194065D-04-4.942014160D-08
5.591493490D-12-2.566386941D-16 4.156251610D+04 1.265367627D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6641.836
-1.008467687D+06 7.642402360D+02 2.332880311D+00 1.892649914D-05-1.170322571D-09
3.749758920D-14-4.871021520D-19 4.111417150D+04 9.680921840D+00
Fe(CO)5 Chase,1998 p698.
2 j 3/78 FE 1.00C 5.00O 5.00 0.00 0.00 0 195.8955000 -727850.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 33145.399
3.797805710D+05-7.285928160D+03 5.400236180D+01-6.935400750D-02 1.026705717D-04
-7.207373130D-08 1.958981996D-11 -5.854580480D+04-2.604377836D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 33145.399
1.116600852D+06-8.067074730D+03 3.652942410D+01-2.047190300D-03 4.441967750D-07
-4.932507130D-11 2.235704865D-15 -4.860661250D+04-1.754566113D+02
FeCL Chase,1998 p761.
2 j 6/65 FE 1.00CL 1.00 0.00 0.00 0.00 0 91.2980000 251040.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10377.153
1.117340353D+04-5.402144290D+01 3.486057920D+00 6.879837140D-03-1.273679557D-05
1.025321859D-08-3.051544011D-12 2.928681990D+04 9.428962979D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10377.153
5.288700220D+05-1.282897413D+03 5.798441690D+00-2.896589776D-04 3.343903810D-08
-1.469606582D-13-1.213444602D-16 3.726196730D+04-4.075134191D+00
FeCL2 Chase,1998 p822.
2 j12/70 FE 1.00CL 2.00 0.00 0.00 0.00 0 126.7510000 -141000.800
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14277.338
2.301121607D+04-5.858044060D+02 9.322903480D+00-3.006298824D-03 2.590788666D-06
-1.080178662D-09 2.341239608D-13 -1.621041276D+04-1.816752393D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14277.338
1.644123697D+05 6.928002690D+02 4.638270140D+00 2.754339782D-03-8.624218250D-07
1.170827576D-10-5.938061950D-15 -2.219721855D+04 1.116897701D+01
FeCL3 Chase,1998 p879.
2 j 6/65 FE 1.00CL 3.00 0.00 0.00 0.00 0 162.2040000 -1059104.288
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18214.073
4.284772100D+03-5.741705370D+02 1.220667256D+01-4.680434120D-03 5.609500470D-06
-3.549599500D-09 9.198543490D-13 -1.275688456D+05-2.887584081D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18214.073
-5.915740590D+04-1.033382228D+01 1.000849967D+01-3.657651870D-06 8.545873640D-10
-1.023070527D-13 4.904063640D-18 -1.305012050D+05-1.598494171D+01
FeO Chase,1998 p1239.
2 j 9/66 FE 1.00O 1.00 0.00 0.00 0.00 0 71.8444000 251040.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8837.031
1.569282213D+04-6.460188880D+01 2.458925470D+00 7.016047360D-03-1.021405947D-05
7.179297870D-09-1.978966365D-12 2.964572665D+04 1.326115545D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8837.031
-1.195971480D+05-3.624864780D+02 5.518880750D+00-9.978856890D-04 4.376913830D-07
-6.790629460D-11 3.639292680D-15 3.037985806D+04-3.633655420D+00
Fe(OH)2 Chase,1998 p1230.
2 j12/66 FE 1.00O 2.00H 2.00 0.00 0.00 0 89.8596800 -330536.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14209.461
4.443027200D+05-6.795140890D+03 3.894726210D+01-5.973005680D-02 7.046165430D-05
-4.087859510D-08 9.368766340D-12 -9.051420860D+03-1.931304058D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14209.461
1.612519190D+06-6.533241990D+03 1.842922816D+01-2.073249635D-03 4.265874360D-07
-4.564063130D-11 1.990105746D-15 -2.992568633D+03-8.445940590D+01
Fe2CL4 Chase,1998 p891.
2 j12/70 FE 2.00CL 4.00 0.00 0.00 0.00 0 253.5020000 -431370.400
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 29849.201
1.501308814D+03-6.617096510D+02 1.826924882D+01-4.181494660D-03 4.196535050D-06
-2.188670747D-09 5.395194700D-13 -5.340057580D+04-4.935640680D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 29849.201
1.402450973D+05 6.936064410D+02 1.313800410D+01 2.754333070D-03-8.623996010D-07
1.170782491D-10-5.937778080D-15 -5.974172730D+04-1.752491511D+01
Fe2CL6 Chase,1998 p928.
2 j 6/65 FE 2.00CL 6.00 0.00 0.00 0.00 0 324.4080000 -654377.600
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 40447.854
-1.034544447D+04-8.234876600D+02 2.520090594D+01-6.845796790D-03 8.255820750D-06
-5.248965660D-09 1.365242237D-12 -8.131847190D+04-8.010768938D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 40447.854
-9.999118000D+04-1.457716085D+01 2.201208460D+01-5.229481130D-06 1.226831608D-09
-1.473195806D-13 7.078272330D-18 -8.551496190D+04-6.143757198D+01
Ga Hf:Gurvich,1996a. Moore,1971. Johansson,1967. Gordon,1999.
3 g12/98 GA 1.00 0.00 0.00 0.00 0.00 0 69.7230000 272000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6551.115
2.387947890D+05-3.121634631D+03 1.630171272D+01-2.347922342D-02 1.932327565D-05
-7.316311870D-09 8.857387735D-13 4.732717380D+04-7.547172760D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6551.115
-5.544186520D+04 8.808624420D+02 1.760717716D+00 2.993259460D-04-5.610827310D-08
2.682832239D-12 3.132134914D-16 2.684351822D+04 1.252212023D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6551.115
2.288759836D+08-6.759297920D+04 2.526821493D+00 1.463058875D-03-1.250892936D-07
3.820116110D-12-3.997883065D-17 6.402915740D+05-8.083504020D+00
Ga+ IP:Johansson,1967. Moore,1971. Gordon,1999.
3 g12/98 GA 1.00E -1.00 0.00 0.00 0.00 0 69.7224514 856688.428
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
4.098344940D-04-4.343581620D-06 2.500000019D+00-4.389036810D-11 5.563969200D-14
-3.638228260D-17 9.607881995D-21 1.022899726D+05 5.215090460D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
3.566607140D+04-1.108845546D+02 2.635517951D+00-8.338973520D-05 2.734243614D-08
-4.555673740D-12 3.035050101D-16 1.029897430D+05 4.257075410D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.880791061D+08-1.410890480D+05 4.500268850D+01-6.445582900D-03 5.005999840D-07
-1.789454995D-11 2.439723414D-16 1.191428220D+06-3.545671850D+02
GaBr Gurvich,1996a pt1 p239 pt2 p193
2 tpis96 GA 1.00BR 1.00 0.00 0.00 0.00 0 149.6270000 -17967.880
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9932.119
-2.185275415D+03-7.672232970D+01 4.770805670D+00-4.497881060D-04 5.579853600D-07
-3.065156457D-10 7.042946040D-14 -3.138004818D+03 2.948144294D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9932.119
3.359805030D+05-8.406836680D+02 5.145084730D+00-3.265526000D-05-7.671022750D-08
3.635123820D-11-3.358177830D-15 2.035179445D+03-4.277894080D-01
GaBr2 Gurvich,1996a pt1 p241 pt2 p194.
2 tpis96 GA 1.00BR 2.00 0.00 0.00 0.00 0 229.5310000 -149180.952
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14024.948
7.081681620D+03-3.705766100D+02 8.418425360D+00-3.001930915D-03 3.595477670D-06
-2.276883735D-09 5.913221770D-13 -1.821116655D+04-9.512572050D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14024.948
-3.302294360D+05 4.766722650D+02 7.104725400D+00-5.522771210D-04 3.159876015D-07
-5.513637150D-11 3.173293230D-15 -2.365683620D+04-1.162714892D+00
GaBr3 Gurvich,1996a pt1 p243 pt2 p196.
2 tpis96 GA 1.00BR 3.00 0.00 0.00 0.00 0 309.4350000 -292962.663
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19037.337
6.363807340D+03-5.142040450D+02 1.196065138D+01-4.134637650D-03 4.933978330D-06
-3.111868526D-09 8.043631480D-13 -3.570415500D+04-2.556896053D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19037.337
-5.103063750D+04-9.395209690D+00 1.000768765D+01-3.295954300D-06 7.679838140D-10
-9.175147260D-14 4.391186940D-18 -3.833402150D+04-1.410315914D+01
GaCL Gurvich,1996a pt1 p231 pt2 p186
2 tpis96 GA 1.00CL 1.00 0.00 0.00 0.00 0 105.1760000 -69621.440
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9609.116
6.417143000D+03-2.257949147D+02 5.311673690D+00-1.562280975D-03 1.836579731D-06
-1.100421873D-09 2.725812445D-13 -8.593892330D+03-1.695911735D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9609.116
-4.864842240D+05 1.452870183D+03 2.719542959D+00 1.144285628D-03-3.431452860D-07
5.470440480D-11-3.019622103D-15 -1.895084035D+04 1.570926145D+01
GaCL2 Gurvich,1996a pt1 p232 pt2 p187.
2 tpis96 GA 1.00CL 2.00 0.00 0.00 0.00 0 140.6290000 -220978.909
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13513.391
2.225481851D+04-6.046218440D+02 9.220388910D+00-4.554400790D-03 5.324855180D-06
-3.308605570D-09 8.462235560D-13 -2.564550386D+04-1.685409262D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13513.391
-3.445405300D+05 4.714437160D+02 7.108775480D+00-5.539433560D-04 3.163638240D-07
-5.518023930D-11 3.175353030D-15 -3.230936160D+04-3.744840740D+00
GaCL3 Gurvich,1996a pt1 p235 pt2 p189.
2 tpis96 GA 1.00CL 3.00 0.00 0.00 0.00 0 176.0820000 -432624.753
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17375.247
4.784948400D+04-1.162678125D+03 1.408954213D+01-8.106134290D-03 9.219430160D-06
-5.599710550D-09 1.404852600D-12 -4.915909730D+04-4.282179383D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17375.247
-9.466917310D+04-2.561468254D+01 1.002010048D+01-8.354073070D-06 1.901439055D-09
-2.231168493D-13 1.052949609D-17 -5.518201430D+04-1.864958383D+01
GaF Gurvich,1996a pt1 p224 pt2 p179
2 tpis96 GA 1.00F 1.00 0.00 0.00 0.00 0 88.7214032 -232608.491
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9081.109
3.670398010D+04-5.336572220D+02 5.759291920D+00-1.506128492D-03 9.509038450D-07
-1.830941130D-10-3.135959193D-14 -2.647075690D+04-6.589321880D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9081.109
-2.983392279D+05 7.225157870D+02 3.639557430D+00 5.546736760D-04-1.464901450D-07
2.177385396D-11-1.031058874D-15 -3.408528710D+04 7.553960000D+00
GaF2 Gurvich,1996a pt1 p225 pt2 p180.
2 tpis96 GA 1.00F 2.00 0.00 0.00 0.00 0 107.7198064 -516712.441
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12115.659
6.842539530D+04-8.897617740D+02 7.707455490D+00 2.072150890D-03-5.289981930D-06
4.564127420D-09-1.406942753D-12 -5.919856150D+04-1.341142116D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12115.659
4.100251360D+05-1.723259472D+03 8.951329220D+00-1.059205682D-03 2.745755154D-07
-2.907681311D-11 1.084834142D-15 -5.376571600D+04-2.113835528D+01
GaF3 Gurvich,1996a pt1 p226 pt2 p182.
2 tpis96 GA 1.00F 3.00 0.00 0.00 0.00 0 126.7182096 -921476.983
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15223.017
9.593266700D+04-1.355507494D+03 1.097760197D+01 3.461571720D-03-8.469551950D-06
7.222468930D-09-2.213328653D-12 -1.061479087D+05-3.212651850D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15223.017
-2.096961760D+05-1.431211274D+02 1.010568378D+01-4.184936820D-05 9.164759450D-09
-1.042661957D-12 4.799163450D-17 -1.136678134D+05-2.392539330D+01
GaH Gurvich,1996a pt1 p220 pt2 p177
2 tpis96 GA 1.00H 1.00 0.00 0.00 0.00 0 70.7309400 214323.404
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8673.104
-4.391876200D+04 6.254457120D+02 3.276862890D-01 6.496641500D-03-3.802970010D-06
2.852103704D-10 3.626809130D-13 2.171260108D+04 2.224032244D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8673.104
3.257993990D+06-1.109099502D+04 1.801126796D+01-8.167719110D-03 2.601293566D-06
-3.813459350D-10 2.028049649D-14 9.369778240D+04-9.820900220D+01
GaI Gurvich,1996a pt1 p247 pt2 p200
2 tpis96 GA 1.00I 1.00 0.00 0.00 0.00 0 196.6274700 44871.122
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10109.122
-3.661855030D+03-3.206924180D+01 4.599961920D+00-8.899475460D-05 1.162792633D-07
-1.812351457D-11-7.584619640D-15 4.198649370D+03 4.928964650D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10109.122
1.498356654D+06-4.551967240D+03 9.803005350D+00-2.943735609D-03 8.658040510D-07
-1.106638204D-10 5.007836860D-15 3.291811910D+04-3.227359770D+01
GaI2 Gurvich,1996a pt1 p249 pt2 p201.
2 tpis96 GA 1.00I 2.00 0.00 0.00 0.00 0 323.5319400 -28954.965
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14470.935
-9.831395900D+02-2.152621259D+02 7.844318760D+00-1.819797849D-03 2.210706958D-06
-1.416110855D-09 3.713762930D-13 -4.534090230D+03-4.250516810D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14470.935
-3.202879750D+05 4.796502330D+02 7.102333960D+00-5.512657830D-04 3.157543452D-07
-5.510871940D-11 3.171977730D-15 -9.180919610D+03 7.275204880D-01
GaI3 Gurvich,1996a pt1 p250 pt2 p203.
2 tpis96 GA 1.00I 3.00 0.00 0.00 0.00 0 450.4364100 -115877.240
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20122.760
-5.663472650D+03-2.425937116D+02 1.095451119D+01-2.059175489D-03 2.499117622D-06
-1.596502506D-09 4.167644060D-13 -1.576722832D+04-1.646129942D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20122.760
-3.164040130D+04-4.208662830D+00 1.000352001D+01-1.532650180D-06 3.611531540D-10
-4.350978870D-14 2.095704875D-18 -1.700058453D+04-1.090291552D+01
GaO Gurvich,1996a pt1 p214 pt2 p174
2 tpis96 GA 1.00O 1.00 0.00 0.00 0.00 0 85.7224000 146823.607
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8925.107
7.325543910D+04-9.804269510D+02 7.844122760D+00-7.171072850D-03 7.872780510D-06
-2.401464112D-09-2.594919458D-13 2.140581724D+04-1.799742951D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8925.107
2.937313804D+06-1.118314112D+04 1.859366773D+01-6.854753450D-03 1.665399251D-06
-1.887560878D-10 7.972686920D-15 8.530248080D+04-9.904040480D+01
GaOH Gurvich,1996a pt1 p222 pt2 p178.
2 tpis96 GA 1.00O 1.00H 1.00 0.00 0.00 0 86.7303400 -143630.495
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10583.608
6.963101870D+04-1.247828695D+03 1.022001611D+01-5.922534390D-03 4.643387400D-06
-1.215936978D-09-2.945243614D-14 -1.275397794D+04-3.217063000D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10583.608
8.429051010D+05-2.372324595D+03 8.009071090D+00 8.777230710D-05-5.943068910D-08
9.841943440D-12-5.531552790D-16 -3.751788250D+03-2.171053719D+01
Ga2Br2 Gurvich,1996a pt1 p244 pt2 p197.
2 tpis96 GA 2.00BR 2.00 0.00 0.00 0.00 0 299.2540000 -136963.692
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20793.308
-1.117183241D+04-7.471471620D+01 1.030246084D+01-6.657929850D-04 8.200515850D-07
-5.297021520D-10 1.394553192D-13 -1.913297856D+04-1.317110316D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20793.308
-1.885373131D+04-1.263621802D+00 1.000108034D+01-4.774975660D-07 1.137227648D-10
-1.380820486D-14 6.690242430D-19 -1.951053843D+04-1.141667594D+01
Ga2Br4 Gurvich,1996a pt1 p245 pt2 p198.
2 tpis96 GA 2.00BR 4.00 0.00 0.00 0.00 0 459.0620000 -415820.034
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 30591.766
-1.315545939D+04-4.136553020D+02 1.762849229D+01-3.514652160D-03 4.266937730D-06
-2.726515882D-09 7.118924490D-13 -5.283101810D+04-4.427520690D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 30591.766
-5.742167210D+04-7.160137370D+00 1.600598947D+01-2.608182270D-06 6.146455950D-10
-7.405438650D-14 3.567126630D-18 -5.493389760D+04-3.479271660D+01
Ga2Br6 Gurvich,1996a pt1 p246 pt2 p199.
2 tpis96 GA 2.00BR 6.00 0.00 0.00 0.00 0 618.8700000 -673688.732
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 41151.266
-6.725116890D+03-8.067526550D+02 2.511671424D+01-6.636514570D-03 7.977555700D-06
-5.059685210D-09 1.313546388D-12 -8.370635200D+04-7.585278720D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 41151.266
-9.526173000D+04-1.444681880D+01 2.201192546D+01-5.145006740D-06 1.204348449D-09
-1.443806473D-13 6.928270740D-18 -8.782223300D+04-5.765895120D+01
Ga2CL2 Gurvich,1996a pt1 p237 pt2 p190.
2 tpis96 GA 2.00CL 2.00 0.00 0.00 0.00 0 210.3520000 -220972.686
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19488.425
-9.246133700D+03-2.592159934D+02 1.102847129D+01-2.231983927D-03 2.720723456D-06
-1.743798624D-09 4.563666040D-13 -2.834059821D+04-2.067773272D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19488.425
-3.668954200D+04-4.434580680D+00 1.000373051D+01-1.630793333D-06 3.853753320D-10
-4.652527730D-14 2.244498791D-18 -2.965633085D+04-1.469535817D+01
Ga2CL4 Gurvich,1996a pt1 p237 pt2 p191.
2 tpis96 GA 2.00CL 4.00 0.00 0.00 0.00 0 281.2580000 -602326.828
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27315.392
1.637343702D+04-1.140637354D+03 2.030139827D+01-8.997746200D-03 1.067254867D-05
-6.700290620D-09 1.725749144D-12 -7.162385010D+04-6.666361900D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27315.392
-1.127110409D+05-2.138517542D+01 1.601738077D+01-7.415564640D-06 1.721694751D-09
-2.051361953D-13 9.797311500D-18 -7.746853380D+04-4.147280870D+01
Ga2CL6 Gurvich,1996a pt1 p238 pt2 p192.
2 tpis96 GA 2.00CL 6.00 0.00 0.00 0.00 0 352.1640000 -962463.532
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 36359.799
6.089469840D+04-2.104456302D+03 2.959653878D+01-1.537809796D-02 1.779096808D-05
-1.095619429D-08 2.779706493D-12 -1.118400535D+05-1.121945814D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 36359.799
-1.898445426D+05-4.413655240D+01 2.203505047D+01-1.470071128D-05 3.369512810D-09
-3.975462800D-13 1.884231868D-17 -1.226969998D+05-6.745332883D+01
Ga2F2 Gurvich,1996a pt1 p228 pt2 p183.
2 tpis96 GA 2.00F 2.00 0.00 0.00 0.00 0 177.4428064 -606231.344
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17147.856
2.978130650D+04-1.013975520D+03 1.374933053D+01-7.728050960D-03 9.064007330D-06
-5.641193220D-09 1.443106716D-12 -7.086083370D+04-4.109833950D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17147.856
-8.773234930D+04-1.983775870D+01 1.001594030D+01-6.744402830D-06 1.556129063D-09
-1.845316975D-13 8.780884020D-18 -7.607368630D+04-1.908325521D+01
Ga2F4 Gurvich,1996a pt1 p228 pt2 p184.
2 tpis96 GA 2.00F 4.00 0.00 0.00 0.00 0 215.4396128 -1325002.958
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22653.242
1.422079998D+05-2.798829941D+03 2.395904235D+01-1.293904774D-02 1.223101326D-05
-6.251209820D-09 1.334919195D-12 -1.496013710D+05-9.734153640D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22653.242
-2.704366090D+05-1.049957196D+02 1.607903965D+01-3.178895920D-05 7.049582720D-09
-8.102379520D-13 3.760540530D-17 -1.644169589D+05-4.896591730D+01
Ga2F6 Gurvich,1996a pt1 p230 pt2 p185.
2 tpis96 GA 2.00F 6.00 0.00 0.00 0.00 0 253.4364192 -2017623.843
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 30131.476
2.409045572D+05-4.142379800D+03 3.195773720D+01-1.297914290D-02 8.959282190D-06
-2.733621068D-09 1.554030994D-13 -2.272785240D+05-1.398403732D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 30131.476
-4.368664800D+05-2.128208368D+02 2.215886373D+01-6.346287910D-05 1.399738556D-08
-1.601732039D-12 7.407584420D-17 -2.494298707D+05-7.787635830D+01
Ga2I2 Gurvich,1996a pt1 p252 pt2 p204.
2 tpis96 GA 2.00I 2.00 0.00 0.00 0.00 0 393.2549400 13520.947
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21497.947
-8.960252670D+03-3.172057210D+01 1.012930491D+01-2.860191165D-04 3.535333010D-07
-2.289632389D-10 6.040085360D-14 -1.233174068D+03-9.801968380D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21497.947
-1.219056501D+04-5.287554470D-01 1.000045392D+01-2.011599344D-07 4.799467810D-11
-5.834781080D-15 2.829565069D-19 -1.393258606D+03-9.052614910D+00
Ga2I4 Gurvich,1996a pt1 p253 pt2 p205.
2 tpis96 GA 2.00I 4.00 0.00 0.00 0.00 0 647.0638800 -159267.987
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 32583.813
-1.769495991D+04-1.354871509D+02 1.654625333D+01-1.199014713D-03 1.473754848D-06
-9.504796570D-10 2.499380837D-13 -2.333405795D+04-3.325712890D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 32583.813
-3.171299760D+04-2.287068836D+00 1.600194812D+01-8.588964380D-07 2.041966602D-10
-2.476145769D-14 1.198551944D-18 -2.401940505D+04-3.008672521D+01
Ga2I6 Gurvich,1996a pt1 p253 pt2 p206.
2 tpis96 GA 2.00I 6.00 0.00 0.00 0.00 0 900.8728200 -317294.623
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 43573.378
-2.110891458D+04-3.695404160D+02 2.346811836D+01-3.189178210D-03 3.890339040D-06
-2.494830378D-09 6.532007280D-13 -4.301188090D+04-6.014811500D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 43573.378
-6.015698150D+04-6.329209230D+00 2.200533040D+01-2.332008629D-06 5.513868480D-10
-6.659445350D-14 3.213670430D-18 -4.488699380D+04-5.161008750D+01
Ga2O Gurvich,1996a pt1 p216 pt2 p175.
2 tpis96 GA 2.00O 1.00 0.00 0.00 0.00 0 155.4454000 -99457.457
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12162.595
5.697197180D+04-8.074085990D+02 7.733061540D+00 1.478450874D-03-4.097743430D-06
3.581158920D-09-1.107073202D-12 -9.512216820D+03-1.256149299D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12162.595
-1.193874986D+05-8.719341610D+01 7.064678200D+00-2.571524542D-05 5.651108490D-09
-6.448190540D-13 2.975374645D-17 -1.393694796D+04-6.942801300D+00
Ge Hf:Gurvich,1991 pt1 p311. Sugar,1993. Gordon,1999.
3 g 3/99 GE 1.00 0.00 0.00 0.00 0.00 0 72.6400000 367800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7398.584
-2.059215242D+04-1.432022103D+02 4.506002330D+00 1.547187840D-03-8.518296550D-06
8.243824460D-09-2.566167305D-12 4.363070860D+04-6.224648889D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7398.584
-8.565413840D+05 3.917958660D+03-1.809888212D+00 2.276482224D-03-5.365627550D-07
5.984958090D-11-2.541700646D-15 1.956518798D+04 3.841408752D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7398.584
2.423965136D+07-2.543605174D+04 1.456087539D+01-2.592562254D-03 2.658628502D-07
-1.122785077D-11 1.620997559D-16 2.295812461D+05-8.953523898D+01
Ge+ Sugar,1993. Gordon,1999.
3 g 3/99 GE 1.00E -1.00 0.00 0.00 0.00 0 72.6394514 1134984.385
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6205.785
-3.453666430D+05 4.008449710D+03-1.522395737D+01 3.626030020D-02-3.351367260D-05
1.431059219D-08-2.236976459D-12 1.157058042D+05 1.090158182D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6205.785
-2.244860570D+06 5.165531140D+03-3.867516510D-01 8.528730940D-04-1.386040003D-07
1.155945775D-11-3.784413134D-16 1.006823985D+05 2.965845411D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6205.785
5.768056240D+07-3.078606210D+04 8.706291820D+00-4.942233500D-04-2.690467703D-11
1.853441677D-12-5.082067525D-17 3.857785420D+05-4.842537137D+01
Ge- Hotop,1985. Gordon,1999.
3 g 3/99 GE 1.00E 1.00 0.00 0.00 0.00 0 72.6405486 245402.540
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6980.940
2.989142308D+03 8.657417230D+01 2.191868507D+00 5.900795270D-04-6.375800580D-07
3.661132150D-10-8.689778450D-14 2.835695190D+04 9.417623637D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6980.940
1.352040246D+04-5.048518780D-01 2.500140247D+00-3.652944160D-09-6.716722200D-12
1.378119925D-15-8.475212940D-20 2.881739757D+04 7.577953867D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6980.940
1.079877187D+04 1.149969180D+00 2.499738027D+00 3.051383052D-08-1.930296476D-12
6.305166240D-17-8.327676240D-22 2.880429709D+04 7.581467327D+00
GeBr Gurvich,1991 pt1 p333 pt2 p287.
2 tpis91 GE 1.00BR 1.00 0.00 0.00 0.00 0 152.5440000 137438.119
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9864.119
-5.680774630D+04 9.173361260D+02-2.224809366D+00 2.171239242D-02-3.035490868D-05
2.011776305D-08-5.202915040D-12 1.104192901D+04 4.107865983D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9864.119
2.256750476D+05-7.310715460D+02 6.263283810D+00-1.198085447D-03 4.000377770D-07
-5.429937880D-11 2.510481953D-15 1.942863606D+04-6.106507844D+00
GeBr2 Gurvich,1991 pt1 p334 pt2 p288.
2 tpis91 GE 1.00BR 2.00 0.00 0.00 0.00 0 232.4480000 -60962.897
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14193.463
-1.649285325D+03-2.296262116D+02 7.900144680D+00-1.936685504D-03 2.345776175D-06
-1.496279368D-09 3.901453500D-13 -8.316624210D+03-6.918156136D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14193.463
-2.636655245D+04-3.990509020D+00 7.003327440D+00-1.445749787D-06 3.401591360D-10
-4.093457030D-14 1.969987842D-18 -9.484999250D+03-1.673617098D+00
GeBr3 Gurvich,1991 pt1 p335 pt2 p289.
2 tpis91 GE 1.00BR 3.00 0.00 0.00 0.00 0 312.3520000 -119031.308
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18549.492
2.725568677D+03-5.186213260D+02 1.199957754D+01-4.251024530D-03 5.103629720D-06
-3.233706250D-09 8.388358860D-13 -1.477988251D+04-2.534555678D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18549.492
-5.433926700D+04-9.280327950D+00 1.000765019D+01-3.297322150D-06 7.712929260D-10
-9.241571850D-14 4.432876230D-18 -1.742697092D+04-1.366946296D+01
GeBr4 Gurvich,1991 pt1 p336 pt2 p290.
2 tpis91 GE 1.00BR 4.00 0.00 0.00 0.00 0 392.2560000 -291000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23963.218
5.431940390D+03-6.777748800D+02 1.560015305D+01-5.507788880D-03 6.594764290D-06
-4.170146140D-09 1.080116643D-12 -3.557606400D+04-4.209122927D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23963.218
-6.977757910D+04-1.179873115D+01 1.300953955D+01-4.024938750D-06 9.203567210D-10
-1.076853369D-13 5.040954800D-18 -3.904148160D+04-2.689436070D+01
GeCL Gurvich,1991 pt1 p328 pt2 p283.
2 tpis91 GE 1.00CL 1.00 0.00 0.00 0.00 0 108.0930000 69029.915
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9599.115
1.069724739D+04-2.241238266D+01 1.987371070D+00 1.368270905D-02-2.358294414D-05
1.786756020D-08-5.102503250D-12 7.440683390D+03 1.505837189D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9599.115
-3.784193250D+05 1.429309204D+03 3.194854640D+00 8.119939120D-04-2.652459954D-07
5.151957880D-11-3.534214570D-15 -2.087046335D+03 1.385033820D+01
GeCL2 Gurvich,1991 pt1 p330 pt2 p284.
2 tpis91 GE 1.00CL 2.00 0.00 0.00 0.00 0 143.5460000 -171000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13276.791
1.838536673D+04-5.827205340D+02 9.161404660D+00-4.464786030D-03 5.244873550D-06
-3.268067210D-09 8.367575420D-13 -1.975798598D+04-1.734321630D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13276.791
-4.890128920D+04-1.126210418D+01 7.009063530D+00-3.839180730D-06 8.865633570D-10
-1.052000540D-13 5.008422220D-18 -2.275254424D+04-4.656641298D+00
GeCL3 Hf:Gurvich,1991 pt1 p331. Gurvich,1979 pt2 p287.
2 g 6/01 GE 1.00CL 3.00 0.00 0.00 0.00 0 178.9990000 -266950.589
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17559.437
1.935859579D+04-8.342020000D+02 1.312702530D+01-6.511390020D-03 7.696277480D-06
-4.818541730D-09 1.238399959D-12 -3.097218753D+04-3.552547184D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17559.437
-7.574499820D+04-1.579213420D+01 1.001278835D+01-5.441738310D-06 1.260936724D-09
-1.500137106D-13 7.156400810D-18 -3.525131720D+04-1.719719944D+01
GeCL4 Gurvich,1991 pt1 p332 pt2 p286.
2 tpis91 GE 1.00CL 4.00 0.00 0.00 0.00 0 214.4520000 -500000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21136.625
6.502870410D+04-1.652482760D+03 1.881327000D+01-1.152426810D-02 1.310809980D-05
-7.961956110D-09 1.997505040D-12 -5.570052390D+04-6.754438135D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21136.625
-1.376261210D+05-3.603769500D+01 1.302816670D+01-1.164956960D-05 2.636193380D-09
-3.072926720D-13 1.439808750D-17 -6.426281780D+04-3.318158305D+01
GeF Gurvich,1991 pt1 p324 pt2 p279.
2 tpis91 GE 1.00F 1.00 0.00 0.00 0.00 0 91.6384032 -70592.990
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9144.110
5.017097820D+04-4.395552520D+02 2.990864513D+00 1.252766738D-02-2.337593226D-05
1.841631179D-08-5.398492260D-12 -7.093516400D+03 7.064248931D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9144.110
-5.150480580D+05 1.659711777D+03 2.999610299D+00 8.198511680D-04-2.271982948D-07
3.624183860D-11-2.133840473D-15 -2.051529487D+04 1.373154230D+01
GeF2 Gurvich,1991 pt1 p326 pt2 p280.
2 tpis91 GE 1.00F 2.00 0.00 0.00 0.00 0 110.6368064 -574000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11787.485
7.543097080D+04-1.108456469D+03 9.078898270D+00-1.445630636D-03-6.575322320D-07
1.475344103D-09-5.811220270D-13 -6.510685550D+04-2.200457134D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11787.485
-1.275327716D+05-7.162591350D+01 7.053002370D+00-2.101910441D-05 4.607893700D-09
-5.246394670D-13 2.416218951D-17 -7.112637630D+04-8.483841439D+00
GeF3 Hf:Gurvich,1991 pt1 p327. Gurvich,1979 v2 pt2 p283.
2 g 6/01 GE 1.00F 3.00 0.00 0.00 0.00 0 129.6352096 -806332.833
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14678.187
1.114121569D+05-1.776908030D+03 1.352166477D+01-2.983622949D-03-3.612749750D-08
1.621528436D-09-7.199011780D-13 -9.038262960D+04-4.568760023D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14678.187
-2.069580129D+05-1.110233803D+02 1.008234122D+01-3.271676260D-05 7.183896700D-09
-8.190388120D-13 3.776322440D-17 -9.999749090D+04-2.303465940D+01
GeF4 Gurvich,1991 pt1 p328 pt2 p282.
2 tpis91 GE 1.00F 4.00 0.00 0.00 0.00 0 148.6336128 -1190150.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17293.025
1.119818968D+05-1.636859630D+03 1.231371005D+01 1.025446325D-02-1.893783072D-05
1.476849261D-08-4.325174110D-12 -1.374265128D+05-4.104202391D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17293.025
-3.253032680D+05-2.538279448D+02 1.318792173D+01-7.460058550D-05 1.637384721D-08
-1.866482733D-12 8.605530500D-17 -1.466176526D+05-4.122237561D+01
GeH4 Barin,1989 pt1 p628.
2 bar89 GE 1.00H 4.00 0.00 0.00 0.00 0 76.6717600 90793.000
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-2.568398191D+05-4.132811450D+01 7.755116280D+00 2.129640783D-03 7.255053610D-07
-5.096314010D-10 1.431608261D-13 7.881538040D+03-2.030107999D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-3.809805880D+06 1.093167093D+04-5.149675410D+00 9.485931370D-03-1.649459859D-06
1.419674126D-10-5.004639750D-15 -6.158518520D+04 7.168961273D+01
GeI Gurvich,1991 pt1 p337 pt2 p291.
2 tpis91 GE 1.00I 1.00 0.00 0.00 0.00 0 199.5444700 210969.120
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10005.120
-7.438308220D+04 1.033759595D+03-1.520491112D+00 1.555125152D-02-1.683415215D-05
8.383557810D-09-1.550875391D-12 1.912920413D+04 3.959395473D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10005.120
-2.133148437D+05-2.953079008D+02 6.876607360D+00-2.102579132D-03 8.596299380D-07
-1.447692760D-10 8.401042790D-15 2.452326136D+04-8.549783749D+00
GeO Gurvich,1991 pt1 p315 pt2 p274.
2 tpis91 GE 1.00O 1.00 0.00 0.00 0.00 0 88.6394000 -37694.307
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8782.106
-6.781225630D+03 2.791946972D+02 6.198952860D-01 1.111378013D-02-1.501027092D-05
1.006783003D-08-2.687101932D-12 -6.711847430D+03 2.156441027D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8782.106
-1.044508485D+06 2.734866048D+03 1.298071298D+00 1.832638634D-03-5.060986350D-07
6.374958020D-11-2.172371872D-15 -2.362104658D+04 2.350906051D+01
GeO2 Gurvich,1991 pt1 p323 pt2 p278.
2 tpis91 GE 1.00O 2.00 0.00 0.00 0.00 0 104.6388000 -106171.998
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11258.002
-3.824173830D+03 1.563451633D+02 1.694198285D+00 1.756205059D-02-2.418270032D-05
1.632388154D-08-4.368957860D-12 -1.477534880D+04 1.556926515D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11258.002
-1.727347526D+05-2.961154443D+02 7.720726250D+00-8.824933390D-05 1.949874702D-08
-2.235834829D-12 1.036128507D-16 -1.387983288D+04-1.669845695D+01
GeS Gurvich,1991 pt1 p344 pt2 p297.
2 tpis91 GE 1.00S 1.00 0.00 0.00 0.00 0 104.7050000 92525.110
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9141.110
3.661018430D+04-5.659653500D+02 6.152936410D+00-2.746908039D-03 2.733435196D-06
-1.460209187D-09 3.278709470D-13 1.274175754D+04-7.705659460D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9141.110
-2.351367441D+06 7.211581860D+03-4.362526310D+00 5.451737750D-03-1.721002774D-06
2.632908084D-10-1.394374040D-14 -3.583317250D+04 6.505566891D+01
GeS2 Gurvich,1991 pt1 p347 pt2 p299.
2 tpis91 GE 1.00S 2.00 0.00 0.00 0.00 0 136.7700000 118817.831
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13067.831
5.543683600D+04-1.024826697D+03 1.057594552D+01-5.287883910D-03 5.295803080D-06
-2.872529530D-09 6.519027550D-13 1.735579668D+04-2.991719536D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13067.831
-8.970980360D+04-3.364377000D+01 7.525433720D+00-1.026368137D-05 2.282230718D-09
-2.628748770D-13 1.222218614D-17 1.195232103D+04-1.135170616D+01
Ge2 Gurvich,1991 pt1 p313 pt2 p273.
2 tpis91 GE 2.00 0.00 0.00 0.00 0.00 0 145.2800000 471498.929
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10696.129
2.161978929D+05-3.079621733D+03 1.888047728D+01-2.604825861D-02 2.279151350D-05
-9.028351270D-09 1.146806387D-12 7.032402550D+04-7.901095968D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10696.129
1.969461258D+06-5.248687100D+03 1.058277303D+01-3.336551510D-03 1.052745838D-06
-1.484534793D-10 7.475431760D-15 8.925665990D+04-3.750233948D+01
H D0(H2):Herzberg,1970. Moore,1972. Gordon,1999.
3 g 6/97 H 1.00 0.00 0.00 0.00 0.00 0 1.0079400 217998.828
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.547370801D+04-4.466828530D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
6.078774250D+01-1.819354417D-01 2.500211817D+00-1.226512864D-07 3.732876330D-11
-5.687744560D-15 3.410210197D-19 2.547486398D+04-4.481917770D-01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
2.173757694D+08-1.312035403D+05 3.399174200D+01-3.813999680D-03 2.432854837D-07
-7.694275540D-12 9.644105630D-17 1.067638086D+06-2.742301051D+02
H+ IP(H): Moore,1972. Gordon,1999.
3 g10/00 H 1.00E -1.00 0.00 0.00 0.00 0 1.0073914 1536245.928
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.840214877D+05-1.140646644D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.840214877D+05-1.140646644D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.840214877D+05-1.140646644D+00
H- Hotop,1985. Gordon,1999.
3 g 9/96 H 1.00E 1.00 0.00 0.00 0.00 0 1.0084886 139031.328
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.597615494D+04-1.139013868D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.597615494D+04-1.139013868D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.597615494D+04-1.139013868D+00
HALO Gurvich,1996a pt1 p147 pt2 p111.
2 tpis96 AL 1.00O 1.00H 1.00 0.00 0.00 0 43.9888780 1821.114
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9935.217
2.668671568D+04-4.663214590D+02 5.383800210D+00 2.902425002D-03-2.243677610D-07
-1.516294323D-09 6.951737660D-13 1.235914473D+03-6.508837520D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9935.217
7.847467050D+04-1.515628850D+03 8.572776230D+00-4.142611440D-04 8.935081700D-08
-1.007036446D-11 4.608017250D-16 6.663241890D+03-2.672948642D+01
HALO2 Gurvich,1996a pt1 p148 pt2 p112.
2 tpis96 H 1.00AL 1.00O 2.00 0.00 0.00 0 59.9882780 -355473.551
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11980.604
3.544598910D+03 1.159819104D+02 8.637970690D-01 2.460875785D-02-3.423160120D-05
2.373182987D-08-6.467608830D-12 -4.449506140D+04 2.012317065D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11980.604
6.985705440D+05-2.864935042D+03 1.086721494D+01-5.368312700D-05-2.836877559D-08
6.291641190D-12-3.889033110D-16 -2.764392495D+04-3.775886340D+01
HBO Boron oxide-hydride Gurvich,1996a pt1 p39,pt2 p23.
2 tpis96 H 1.00B 1.00O 1.00 0.00 0.00 0 27.8183400 -210621.205
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9166.898
6.360975030D+04-8.001557590D+02 6.218816130D+00-7.801679980D-04 3.141286759D-06
-2.031853478D-09 3.738552890D-13 -2.240282910D+04-1.326952393D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9166.898
8.861860230D+05-3.913068050D+03 9.888644800D+00-8.222269140D-04 1.621530554D-07
-1.703550237D-11 7.372740020D-16 -3.161852029D+03-4.036812720D+01
HBO+ Chase,1998 p223 12/75.
3 g 1/01 H 1.00B 1.00O 1.00E -1.00 0.00 0 27.8177914 1175219.729
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9094.629
6.524471470D+04-7.047337360D+02 5.294271870D+00 1.308494598D-03 2.088343622D-06
-2.564100339D-09 8.198981250D-13 1.439293436D+05-6.816749230D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9094.629
1.836083606D+04-1.212975446D+03 6.822901960D+00 9.142272500D-04-2.665355457D-07
3.297049810D-11-1.530684082D-15 1.463617504D+05-1.699646159D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9094.629
-2.428406068D+07 1.188114816D+04 5.641928570D+00 1.354130653D-04-2.943428505D-09
-3.120357467D-14 1.432576207D-18 3.883449210D+04-3.069802126D+00
HBO2 Gurvich,1996a pt1 p42 pt2 p26.
2 tpis96 H 1.00B 1.00O 2.00 0.00 0.00 0 43.8177400 -560210.053
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10918.102
6.225087470D+03 7.566153690D+01 1.253406833D+00 1.748006535D-02-1.982688351D-05
1.229656460D-08-3.153609847D-12 -6.878588780D+04 1.767793507D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10918.102
1.049369185D+06-4.479145480D+03 1.197755861D+01-4.735743400D-04 6.080207140D-08
-3.641565440D-12 6.155973170D-17 -4.221149470D+04-4.911366820D+01
HBS Chase,1998 p227 12/75. Jacox,1994.
2 g 2/01 H 1.00B 1.00S 1.00 0.00 0.00 0 43.8839400 50208.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9286.259
5.649966210D+04-5.466409950D+02 3.636458390D+00 9.963657670D-03-1.395090386D-05
1.032834167D-08-3.047186722D-12 7.919860530D+03 1.182455314D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9286.259
-2.021836183D+05-5.052026620D+02 6.415218280D+00 1.049432932D-03-3.683146690D-07
5.342968310D-11-2.154140451D-15 6.485475620D+03-1.331379864D+01
HBS+ Chase,1998 p228 12/75. Jacox,1998 p141.
3 g 1/01 H 1.00B 1.00S 1.00E -1.00 0.00 0 43.8833914 1129458.967
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10135.990
1.489509163D+05-1.847661736D+03 1.147458020D+01-9.476828370D-03 1.110746739D-05
-6.175558610D-09 1.336853512D-12 1.437822395D+05-4.113512498D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10135.990
6.610658360D+05-2.791498527D+03 9.131267640D+00-5.063795290D-04 7.751213140D-08
-4.191132930D-12 2.687149095D-17 1.510734114D+05-3.081426166D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10135.990
-9.547637920D+06 7.401763110D+03 4.866419360D+00 4.143886550D-04-2.488064459D-08
6.972990680D-13-7.714953540D-18 7.555300990D+04 3.822638009D+00
HBr Gurvich,1989 pt1 p205 pt2 p106.
2 tpis89 H 1.00BR 1.00 0.00 0.00 0.00 0 80.9119400 -36290.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8648.104
2.527222498D+04-4.065110270D+02 6.043116610D+00-7.717882870D-03 1.149123213D-05
-7.293633280D-09 1.747406491D-12 -3.510414550D+03-9.903186290D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8648.104
1.170033949D+06-3.786521010D+03 7.503148050D+00-1.284963943D-03 3.206257190D-07
-3.444925160D-11 1.126758417D-15 1.856413349D+04-2.562712911D+01
HCN Hf: East,1993. Gurvich,1991 pt1 p226.
2 g 6/01 H 1.00C 1.00N 1.00 0.00 0.00 0 27.0253400 133082.460
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9235.463
9.098286930D+04-1.238657512D+03 8.721307870D+00-6.528242940D-03 8.872700830D-06
-4.808886670D-09 9.317898500D-13 2.098915450D+04-2.746678076D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9235.463
1.236889278D+06-4.446732410D+03 9.738874850D+00-5.855182640D-04 1.072791440D-07
-1.013313244D-11 3.348247980D-16 4.221513770D+04-4.005774072D+01
HCO Hf:Terentis,1996. Jacox,1998 p146.
2 g 1/01 H 1.00C 1.00O 1.00 0.00 0.00 0 29.0180400 42397.850
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9989.450
-1.189851887D+04 2.151536111D+02 2.730224028D+00 1.806516108D-03 4.984300570D-06
-5.814567920D-09 1.869689894D-12 2.905755640D+03 1.136772540D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9989.450
6.949606120D+05-3.656223380D+03 9.604731170D+00-1.117129278D-03 2.875328019D-07
-3.626247740D-11 1.808329595D-15 2.543704440D+04-3.582473720D+01
HCO+ Formyl ion. Hf:Chase,1998 p603 12/70. Jacox,1998 p145.
3 g 1/01 H 1.00C 1.00O 1.00E -1.00 0.00 0 29.0174914 833034.000
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9045.992
1.573442506D+05-1.867692159D+03 1.099235423D+01-1.211637888D-02 1.659091514D-05
-1.016592642D-08 2.391234771D-12 1.084930280D+05-4.078261620D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9045.992
1.219060653D+06-4.714294890D+03 1.021192493D+01-8.854517070D-04 1.667408026D-07
-1.683285548D-11 7.040051780D-16 1.277989027D+05-4.351158460D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9045.992
-4.593151930D+05-1.132568857D+03 7.739065200D+00-2.648464060D-05 1.613280824D-09
-5.113217500D-14 6.588027500D-19 1.032813937D+05-2.458716820D+01
HCCN Gurvich,1989 pt1 p228 pt2 p216.
2 tpis89 H 1.00C 2.00N 1.00 0.00 0.00 0 39.0360400 610430.628
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11865.731
2.994114377D+03-4.404660680D+02 6.940036410D+00 3.846304960D-03-1.264728529D-06
-3.639235130D-10 2.748929104D-13 7.370878640D+04-1.315302591D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11865.731
9.395620310D+05-4.091067750D+03 1.272233302D+01-6.874405310D-04 1.231169968D-07
-1.186956238D-11 4.760610350D-16 9.585164820D+04-5.248695794D+01
HCCO Ketenyl rad. Osborn,1997. Szalay,1996. Jacox,1998 p156.
2 g 6/01 H 1.00C 2.00O 1.00 0.00 0.00 0 41.0287400 176568.100
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11664.994
6.959612700D+04-1.164594402D+03 9.456616260D+00-2.331240632D-03 5.161873600D-06
-3.526169970D-09 8.599143230D-13 2.535003992D+04-2.726355351D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11664.994
1.093922002D+06-4.498228210D+03 1.246446433D+01-6.343317400D-04 1.108549019D-07
-1.125488678D-11 5.689151940D-16 4.652280300D+04-5.099070430D+01
HCL Gurvich,1989 pt1 p186 pt2 p93.
2 tpis89 H 1.00CL 1.00 0.00 0.00 0.00 0 36.4609400 -92310.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8640.104
2.062588287D+04-3.093368855D+02 5.275418850D+00-4.828874220D-03 6.195794600D-06
-3.040023782D-09 4.916790030D-13 -1.067782299D+04-7.309305408D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8640.104
9.157749510D+05-2.770550211D+03 5.973539790D+00-3.629810060D-04 4.735529190D-08
2.810262054D-12-6.656104220D-16 5.674958050D+03-1.642825822D+01
HD Gurvich,1989 pt1 p144 pt2 p53.
3 tpis89 H 1.00D 1.00 0.00 0.00 0.00 0 3.0220420 323.302
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8509.102
2.519120338D+04-2.761004999D+02 4.644441290D+00-2.082376844D-03 1.418070803D-06
2.839893835D-10-3.202331030D-13 3.913616430D+02-9.395396120D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8509.102
8.455830000D+05-1.956578537D+03 4.404373870D+00 5.751681090D-04-2.131983152D-07
4.036126680D-11-2.727170705D-15 1.227254163D+04-1.084742878D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8509.102
4.829960940D+08-3.077144916D+05 7.864816510D+01-8.332990910D-03 4.732254110D-07
-1.372721571D-11 1.614120677D-16 2.431070386D+06-6.569437060D+02
HD+ Chase,1998 p1034.
3 j 9/77 H 1.00D 1.00E -1.00 0.00 0.00 0 3.0214934 1496792.618
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8614.000
-8.070073050D+04 8.796432580D+02 5.968932160D-02 5.418181010D-03-2.021515155D-06
-4.945261650D-10 4.092935650D-13 1.744992497D+05 1.934281193D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8614.000
1.340083030D+06-5.730069570D+03 1.213836576D+01-5.243338120D-03 1.976302344D-06
-3.306573530D-10 1.937902763D-14 2.135348051D+05-6.128758390D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8614.000
6.116880040D+06-1.884939608D+04 1.741572175D+01-2.495631471D-03 1.746560021D-07
-5.815870420D-12 7.638706130D-17 3.018292196D+05-1.105093671D+02
HDO Gurvich,1989 pt1 p145 pt2 p55.
2 g 5/99 H 1.00D 1.00O 1.00 0.00 0.00 0 19.0214420 -245280.477
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9925.723
-2.737795356D+04 4.310503900D+02 1.558479899D+00 5.764969150D-03-4.855129360D-06
3.382990170D-09-1.040863879D-12 -3.273226450D+04 1.487751891D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9925.723
1.711376798D+06-5.322872300D+03 9.124351520D+00-3.400664150D-04 4.152343520D-08
-4.780768570D-14-1.468035170D-16 3.245224680D+03-3.774600680D+01
HDO2 Gurvich,1989 pt1 p146 pt2 p56.
2 g 5/99 H 1.00D 1.00O 2.00 0.00 0.00 0 35.0208420 -140241.635
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11334.965
-3.216476650D+04 7.492334460D+02-1.957676212D+00 2.412802791D-02-2.915946684D-05
1.930016324D-08-5.226986310D-12 -2.151059175D+04 3.672406740D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11334.965
1.313180619D+06-5.175637120D+03 1.216490975D+01-6.136699480D-04 1.227560176D-07
-1.079624939D-11 3.874013720D-16 1.303209670D+04-5.085276870D+01
HF Gurvich,1989 pt1 p162 pt2 p77.
3 tpis89 H 1.00F 1.00 0.00 0.00 0.00 0 20.0063432 -273300.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8599.103
-3.192098970D+03 5.986807720D+01 3.055113902D+00 1.684673783D-03-3.287394830D-06
3.095923617D-09-9.764691610D-13 -3.418443160D+04 3.294904120D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8599.103
7.257089040D+05-1.484797741D+03 3.855527470D+00 7.138989850D-04-2.106757333D-07
3.050092453D-11-1.639495583D-15 -2.355456660D+04-3.203856830D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8599.103
1.764588423D+08-8.789998060D+04 1.886524859D+01-6.850866180D-04-1.403468022D-08
1.503711045D-12-2.717518148D-17 6.853573220D+05-1.393231574D+02
HI Chase,1998 p1265.
2 j 9/61 H 1.00I 1.00 0.00 0.00 0.00 0 127.9124100 26359.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8656.500
1.872881730D+04-3.431788840D+02 5.956712430D+00-8.543439600D-03 1.454780274D-05
-1.049104164D-08 2.839734003D-12 3.682950720D+03-8.149756090D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8656.500
4.724921450D+05-1.923465741D+03 5.758048970D+00-4.066266380D-04 9.474332050D-08
-1.033534431D-11 4.611614790D-16 1.394857037D+04-1.182487652D+01
HNC Hf:Gurvich,1991 pt1 p227. Jacox,1998 p145.
2 g 6/01 H 1.00N 1.00C 1.00 0.00 0.00 0 27.0253400 194378.121
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10000.724
4.870620640D+04-9.891456250D+02 9.722153890D+00-1.113593916D-02 1.668862707D-05
-1.113940941D-08 2.893600868D-12 2.664679758D+04-3.104826344D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10000.724
1.198791660D+06-3.918941860D+03 9.118020090D+00-3.417761100D-04 3.314809680D-08
-5.701574740D-13-7.789455390D-17 4.658810300D+04-3.468575882D+01
HNCO Hf:East,1993. Jacox,1998 p236.
2 g 7/00 H 1.00N 1.00C 1.00O 1.00 0.00 0 43.0247400 -118056.529
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10966.126
7.542460080D+04-9.550937770D+02 6.725705870D+00 4.705687500D-03-4.959475510D-06
3.694255120D-09-1.164859121D-12 -1.068149742D+04-1.365584762D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10966.126
1.253216926D+06-5.021091540D+03 1.247789314D+01-6.891655250D-04 1.097738448D-07
-9.306403800D-12 3.242606950D-16 1.453155559D+04-5.306419819D+01
HNO Gurvich,1989 pt1 p362 pt2 p227. Jacox,1998 p151.
2 g10/01 H 1.00N 1.00O 1.00 0.00 0.00 0 31.0140400 102032.725
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9941.880
-6.854764860D+04 9.551627200D+02-6.000720210D-01 7.995176750D-03-6.547079160D-07
-3.670513400D-09 1.783392519D-12 6.435351260D+03 3.048166179D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9941.880
-5.795614980D+06 1.945457427D+04-2.152568374D+01 1.797428992D-02-4.976040670D-06
6.397924170D-10-3.142619368D-14 -1.104192372D+05 1.818650338D+02
HNO2 Cis-trans. Gurvich,1989 pt1 p363 pt2 p228.
2 tpis89 H 1.00N 1.00O 2.00 0.00 0.00 0 47.0134400 -78451.922
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11597.285
8.591985060D+03 1.203644046D+02 9.412979120D-01 1.942891839D-02-2.253174194D-05
1.384587594D-08-3.473550460D-12 -1.106337202D+04 2.073967331D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11597.285
8.787904130D+05-3.990455030D+03 1.187349269D+01-4.881900610D-04 7.133636790D-08
-5.376303340D-12 1.581778986D-16 1.246343241D+04-4.608874688D+01
HNO3 Gurvich,1989 pt1 p367 pt2 p231.
2 g 5/99 H 1.00N 1.00O 3.00 0.00 0.00 0 63.0128400 -133912.869
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11876.390
9.202869010D+03 1.093774496D+02-4.521042450D-01 2.984914503D-02-3.190635500D-05
1.720931528D-08-3.782649830D-12 -1.764048507D+04 2.746644879D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11876.390
-9.497809640D+04-2.733024468D+03 1.449426995D+01-7.821868050D-04 1.702693665D-07
-1.930543961D-11 8.870455120D-16 -4.882517780D+03-5.928392985D+01
HOCL Hf:Gurvich,1989 pt1 p187. Jacox,1998 p155.
2 g 1/01 H 1.00O 1.00CL 1.00 0.00 0.00 0 52.4603400 -75740.032
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10224.626
-9.739307430D+03 3.547569520D+02 1.539514254D-01 1.617051795D-02-2.179693631D-05
1.509103049D-08-4.125383510D-12 -1.176323791D+04 2.473257759D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10224.626
8.530457810D+05-2.847760552D+03 7.948329040D+00-1.048782013D-04-1.482405043D-08
4.591678270D-12-3.060073987D-16 7.250964950D+03-2.249831690D+01
HOF Gurvich,1989 pt1 p171 pt2 p79.
2 tpis89 H 1.00O 1.00F 1.00 0.00 0.00 0 36.0057432 -96898.221
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10088.435
-3.696888300D+04 7.809006660D+02-2.077685317D+00 2.038690173D-02-2.586919999D-05
1.713797538D-08-4.551281870D-12 -1.631720064D+04 3.645052500D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10088.435
8.812018230D+05-3.120013169D+03 8.223710070D+00-2.298036315D-04 1.459115709D-08
1.095883303D-12-1.404445608D-16 6.300546710D+03-2.590150427D+01
HO2 Hf:Hills,1984 & NASA data. Jacox,1998 p153.
2 g 4/02 H 1.00O 2.00 0.00 0.00 0.00 0 33.0067400 12020.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10002.162
-7.598882540D+04 1.329383918D+03-4.677388240D+00 2.508308202D-02-3.006551588D-05
1.895600056D-08-4.828567390D-12 0.000000000D+00-5.873350960D+03 5.193602140D+01
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10002.162
-1.810669724D+06 4.963192030D+03-1.039498992D+00 4.560148530D-03-1.061859447D-06
1.144567878D-10-4.763064160D-15 0.000000000D+00-3.200817190D+04 4.066850920D+01
HO2- B3LYP. EA: Oakes, 1985.
2 g 5/02 H 1.00O 2.00E 1.00 0.00 0.00 0 33.0072886 -97923.080
298.150 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10245.320
1.103839835D+05-1.047963653D+03 6.360013990D+00 2.942520461D-03-6.284141340D-06
5.438254240D-09-1.647305820D-12 0.000000000D+00-7.417741590D+03-1.251878002D+01
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10245.320
7.933306000D+05-2.503312417D+03 7.548962330D+00 8.308390150D-05-5.969730910D-08
9.955377000D-12-5.606477280D-16 0.000000000D+00 2.512079084D+03-2.070065846D+01
HPO Hf:Gurvich,1989 pt1 p424. Jacox,1994 p46.
2 tpis89 H 1.00P 1.00O 1.00 0.00 0.00 0 47.9811010 -56868.759
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10065.343
-3.816314120D+04 7.927641870D+02-1.889940652D+00 1.800907425D-02-1.857631793D-05
1.018768867D-08-2.355583619D-12 -1.157641240D+04 3.692925910D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10065.343
3.842459450D+05-2.434951707D+03 8.582173920D+00-4.058448570D-04-1.669488740D-08
2.253640566D-11-1.943063011D-15 5.761632120D+03-2.649097544D+01
HSO3F Chase,1998 p1057.
2 j 6/72 H 1.00S 1.00O 3.00F 1.00 0.00 0 100.0695432 -753120.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15014.174
6.896242130D+03-9.305810750D+01 1.570331788D+00 3.780820750D-02-4.872720780D-05
3.160796011D-08-8.189782930D-12 -9.180240820D+04 1.716315977D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15014.174
5.544047080D+05-3.974424320D+03 1.778869264D+01-4.409322030D-04 5.944411390D-08
-3.927015810D-12 8.891284000D-17 -7.153438270D+04-7.613127849D+01
H2 Ref-Elm. Gurvich,1978 pt1 p103 pt2 p31.
3 tpis78 H 2.00 0.00 0.00 0.00 0.00 0 2.0158800 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8468.102
4.078323210D+04-8.009186040D+02 8.214702010D+00-1.269714457D-02 1.753605076D-05
-1.202860270D-08 3.368093490D-12 2.682484665D+03-3.043788844D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8468.102
5.608128010D+05-8.371504740D+02 2.975364532D+00 1.252249124D-03-3.740716190D-07
5.936625200D-11-3.606994100D-15 5.339824410D+03-2.202774769D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8468.102
4.966884120D+08-3.147547149D+05 7.984121880D+01-8.414789210D-03 4.753248350D-07
-1.371873492D-11 1.605461756D-16 2.488433516D+06-6.695728110D+02
H2+ Gurvich,1978 pt1 p107 pt2 p33.
3 tpis78 H 2.00E -1.00 0.00 0.00 0.00 0 2.0153314 1494672.430
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8583.103
-3.120886060D+04 2.304622909D+02 3.335564420D+00-2.419056763D-03 7.006022340D-06
-5.610010660D-09 1.564169746D-12 1.774104638D+05-8.278523760D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8583.103
1.672225964D+06-6.595184990D+03 1.279321925D+01-5.509345260D-03 2.030669412D-06
-3.351027480D-10 1.946089104D-14 2.189999548D+05-6.792710780D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8583.103
-1.822070983D+08 1.018196269D+05-1.245831898D+01 1.076647496D-03-3.932290360D-08
6.285405030D-13-2.094721880D-18 -6.513101500D+05 1.471415370D+02
H2- Chase,1998 p1312.
2 j 9/77 H 2.00E 1.00 0.00 0.00 0.00 0 2.0164286 235168.362
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8620.592
-9.753565670D+04 1.221166236D+03-2.264588838D+00 1.237202227D-02-1.127100020D-05
5.367239950D-09-1.049420160D-12 2.121399948D+04 3.050556136D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8620.592
9.599275620D+04-9.144682880D+02 5.149418810D+00-1.016559478D-04 5.446919560D-08
-6.155174450D-12 2.822451181D-16 3.234105180D+04-1.440780980D+01
HBOH Gurvich,1996a pt1 p44 pt2 p27.
2 g 9/98 H 2.00B 1.00O 1.00 0.00 0.00 0 28.8262800 -48724.364
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10940.536
-6.159644190D+04 1.223483035D+03-5.460370510D+00 3.555388680D-02-4.675020140D-05
3.236008850D-08-8.986053320D-12 -1.263659051D+04 5.422352290D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10940.536
1.534611049D+06-5.753666430D+03 1.270893665D+01-7.059628250D-04 1.027679375D-07
-7.670926740D-12 2.211854768D-16 2.779370419D+04-5.608860080D+01
HCHO,formaldehy Hf:TRC(6/78) w-5300. Gurvich,1991 pt1 p62 pt2 p47.
2 g 5/01 H 2.00C 1.00O 1.00 0.00 0.00 0 30.0259800 -108580.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10019.717
-1.173916343D+05 1.873628846D+03-6.890288570D+00 2.641561665D-02-2.186389299D-05
1.005693006D-08-2.023476949D-12 -2.307351768D+04 6.420420550D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10019.717
1.700825405D+06-7.620853840D+03 1.472447547D+01-1.649111754D-03 3.292144720D-07
-3.495049770D-11 1.526135000D-15 3.146812947D+04-7.386478500D+01
HCOOH Formic acid. Chao,1978.
2 g 6/01 H 2.00C 1.00O 2.00 0.00 0.00 0 46.0253800 -378570.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10927.649
-2.906279097D+04 7.658378880D+02-3.328414130D+00 2.817542991D-02-2.370050804D-05
1.166063663D-08-2.791373170D-12 -5.006443470D+04 4.387094230D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10927.649
4.872336450D+05-7.632238080D+03 2.132788153D+01-4.402546540D-03 1.102001695D-06
-1.364343517D-10 6.648429750D-15 -5.781431910D+03-1.111790688D+02
H2F2 Gurvich,1989 v1 pt1 p164 pt2 p308.
2 tpis89 H 2.00F 2.00 0.00 0.00 0.00 0 40.0126864 -569923.778
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13869.430
5.259214710D+04-9.913544890D+02 1.043577115D+01-2.407796033D-03-6.376956160D-07
2.735784900D-09-1.104348590D-12 -6.572460830D+04-3.038432132D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13869.430
1.464995601D+06-3.335074920D+03 9.187487040D+00 1.051127249D-03-3.278605570D-07
4.456046230D-11-2.281370136D-15 -4.825442090D+04-2.639128168D+01
H2O Hf:Cox,1989. Woolley,1987. TRC(10/88) tuv25.
2 g 8/89 H 2.00O 1.00 0.00 0.00 0.00 0 18.0152800 -241826.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9904.092
-3.947960830D+04 5.755731020D+02 9.317826530D-01 7.222712860D-03-7.342557370D-06
4.955043490D-09-1.336933246D-12 -3.303974310D+04 1.724205775D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9904.092
1.034972096D+06-2.412698562D+03 4.646110780D+00 2.291998307D-03-6.836830480D-07
9.426468930D-11-4.822380530D-15 -1.384286509D+04-7.978148510D+00
H2O+ Gurvich,1989 pt1 p125 pt2 p38.
3 tpis89 H 2.00O 1.00E -1.00 0.00 0.00 0 18.0147314 981601.766
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9934.466
-1.753892720D+03 2.249850054D+02 1.989400675D+00 6.117895160D-03-7.095436640D-06
5.547659470D-09-1.704344789D-12 1.159585952D+05 1.135409642D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9934.466
6.228714260D+05-2.864257487D+03 7.717565560D+00-9.027801670D-04 6.177436860D-07
-1.201457479D-10 7.407709940D-15 1.342086651D+05-2.636617920D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9934.466
-2.040922112D+07-1.072691716D+03 1.131977392D+01-7.364445000D-04 5.416450200D-08
-1.900872342D-12 2.604761558D-17 1.042565942D+05-5.467272320D+01
H2O2 Hf:Gurvich,1989 pt1 p127. Gurvich,1978 pt1 p121.
2 g 6/99 H 2.00O 2.00 0.00 0.00 0.00 0 34.0146800 -135880.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11158.835
-9.279533580D+04 1.564748385D+03-5.976460140D+00 3.270744520D-02-3.932193260D-05
2.509255235D-08-6.465045290D-12 -2.494004728D+04 5.877174180D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11158.835
1.489428027D+06-5.170821780D+03 1.128204970D+01-8.042397790D-05-1.818383769D-08
6.947265590D-12-4.827831900D-16 1.418251038D+04-4.650855660D+01
H2S Gurvich,1989 pt1 p298 pt2 p181.
2 g 4/01 H 2.00S 1.00 0.00 0.00 0.00 0 34.0808800 -20600.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9958.421
9.543808810D+03-6.875175080D+01 4.054921960D+00-3.014557336D-04 3.768497750D-06
-2.239358925D-09 3.086859108D-13 -3.278457280D+03 1.415194691D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9958.421
1.430040220D+06-5.284028650D+03 1.016182124D+01-9.703849960D-04 2.154003405D-07
-2.169695700D-11 9.318163070D-16 2.908696214D+04-4.349160391D+01
H2SO4 Gurvich,1989 pt1 p300 pt2 p182.
2 tpis89 H 2.00S 1.00O 4.00 0.00 0.00 0 98.0784800 -732731.721
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16508.589
-4.129150050D+04 6.681589890D+02-2.632753507D+00 5.415382480D-02-7.067502230D-05
4.684611420D-08-1.236791238D-11 -9.315660120D+04 3.961096201D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16508.589
1.437877914D+06-6.614902530D+03 2.157662058D+01-4.806255970D-04 3.010775121D-08
2.334842469D-12-2.946330375D-16 -5.259092950D+04-1.023603724D+02
H2BOH Gurvich,1996a pt1 p46 pt2 p29.
2 tpis96 H 3.00B 1.00O 1.00 0.00 0.00 0 29.8342200 -289633.898
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10622.306
-8.686766780D+04 1.820335089D+03-1.032373881D+01 4.922801060D-02-5.978619910D-05
3.946062730D-08-1.068442257D-11 -4.415238150D+04 7.986177290D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10622.306
2.294795193D+06-9.382923560D+03 1.798228329D+01-1.506116214D-03 2.635641095D-07
-2.483163637D-11 9.736759120D-16 2.039738953D+04-9.448201210D+01
HB(OH)2 Gurvich,1996a pt1 p47 pt2 p30.
2 tpis96 H 3.00B 1.00O 2.00 0.00 0.00 0 45.8336200 -644438.724
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12157.532
-2.067044022D+04 9.534459160D+02-8.088956520D+00 5.972425290D-02-8.071336320D-05
5.612118350D-08-1.553607566D-11 -8.264270810D+04 6.539571640D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12157.532
2.122674609D+06-8.615948940D+03 1.966179520D+01-8.148411500D-04 8.955082040D-08
-3.344830510D-12-6.919578140D-17 -2.788790377D+04-9.983559610D+01
H3BO3 Gurvich,1996a pt1 p50 pt2 p32.
2 tpis96 H 3.00B 1.00O 3.00 0.00 0.00 0 61.8330200 -1004360.442
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13559.958
2.568901843D+04 1.138029495D+02-4.045096580D+00 5.924521680D-02-8.148028410D-05
5.658593290D-08-1.549277050D-11 -1.221702050D+05 4.132220140D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13559.958
2.297369132D+06-8.933571790D+03 2.193496552D+01-3.094783490D-04-5.064052990D-08
1.482296684D-11-9.764420900D-16 -6.970298470D+04-1.122292829D+02
H3B3O3 Gurvich,1996a pt1 p53 pt2 p34.
2 tpis96 H 3.00B 3.00O 3.00 0.00 0.00 0 83.4550200 -1203760.987
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15603.321
-1.985284188D+05 4.104132090D+03-2.827215617D+01 1.269639253D-01-1.558505781D-04
9.966304070D-08-2.603677650D-11 -1.648494375D+05 1.763917407D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15603.321
1.286220713D+06-1.093258784D+04 3.213518670D+01-2.595402269D-03 5.353766470D-07
-5.833567380D-11 2.600757913D-15 -8.752856890D+04-1.770847815D+02
H3B3O6 Gurvich,1996a pt1 p55 pt2 p35.
2 tpis96 H 3.00B 3.00O 6.00 0.00 0.00 0 131.4532200 -2263687.611
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23696.853
-2.067031503D+04 7.083391540D+02-7.123820950D+00 1.025049979D-01-1.295004602D-04
8.322737590D-08-2.145746724D-11 -2.778049216D+05 6.063597630D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23696.853
1.952433352D+06-1.154932896D+04 3.892676110D+01-1.113852280D-03 1.280317726D-07
-5.728464820D-12-2.214529572D-17 -2.120927136D+05-2.075566801D+02
H3F3 Gurvich,1989 pt1 p166 pt2 p309.
2 tpis89 H 3.00F 3.00 0.00 0.00 0.00 0 60.0190296 -883676.790
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15263.022
9.888562650D+04-1.380212880D+03 8.980458470D+00 1.871609057D-02-3.127862508D-05
2.589436165D-08-8.040372270D-12 -1.013661491D+05-2.585302557D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15263.022
2.515790373D+06-8.789423320D+03 2.023933445D+01-1.131704646D-03 1.692779921D-07
-1.308662105D-11 3.978322000D-16 -5.471713650D+04-9.907787640D+01
H3O+ Gurvich,1989 pt1 p130 pt2 p41.
3 tpis89 H 3.00O 1.00E -1.00 0.00 0.00 0 19.0226714 598000.000
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10046.427
-6.447640150D+04 1.181817922D+03-3.801893060D+00 2.220628313D-02-2.445343237D-05
1.573297747D-08-4.158836410D-12 6.530613320D+04 4.282723130D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10046.427
2.955126200D+06-9.185669410D+03 1.341398696D+01-5.590339210D-04 1.138387119D-08
7.259927210D-12-6.133734360D-16 1.290534257D+05-7.021828180D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10046.427
-1.591228592D+07 4.898727210D+03 8.881336820D+00 1.299244015D-04-8.169245590D-09
2.649115685D-13-3.472865280D-18 2.090178405D+04-3.217683350D+01
(HCOOH)2 Formic acid dimer. Chao,1978.
2 g 6/01 H 4.00C 2.00O 4.00 0.00 0.00 0 92.0507600 -820942.640
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19631.909
-2.001447991D+05 3.502457370D+03-1.853488051D+01 9.547467130D-02-1.059184484D-04
6.323086900D-08-1.567561216D-11 -1.172621688D+05 1.319646887D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19631.909
3.308188420D+06-1.633668256D+04 3.751348820D+01-3.148108995D-03 6.008707760D-07
-6.144462500D-11 2.600562474D-15 -6.265894440D+03-2.107476941D+02
H4F4 Gurvich,1989 pt1 p167 pt2 p310.
2 tpis89 H 4.00F 4.00 0.00 0.00 0.00 0 80.0253728 -1186932.336
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21654.080
1.315109024D+05-1.840361560D+03 1.264093152D+01 2.495407360D-02-4.170394610D-05
3.452523840D-08-1.072034360D-11 -1.364003454D+05-4.122913530D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21654.080
3.354037990D+06-1.171922040D+04 2.765243565D+01-1.508934621D-03 2.257027572D-07
-1.744867255D-11 5.304351740D-16 -7.420213160D+04-1.388603332D+02
H5F5 Gurvich,1989 pt1 p168 pt2 p311.
2 tpis89 H 5.00F 5.00 0.00 0.00 0.00 0 100.0317160 -1490187.882
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 28045.138
1.641361897D+05-2.300510396D+03 1.630140545D+01 3.119205422D-02-5.212926350D-05
4.315611240D-08-1.340031413D-11 -1.714345408D+05-5.682157380D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 28045.138
4.192290730D+06-1.464903043D+04 3.506554920D+01-1.886170471D-03 2.821289954D-07
-2.181090984D-11 6.630474160D-16 -9.368704200D+04-1.788592044D+02
H6F6 Gurvich,1989 pt1 p169 pt2 p312.
2 tpis89 H 6.00F 6.00 0.00 0.00 0.00 0 120.0380592 -1805545.131
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 34334.493
1.956886618D+05-2.753909880D+03 1.975625055D+01 3.807717010D-02-6.341218880D-05
5.219233290D-08-1.612185649D-11 -2.079269410D+05-7.113607980D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 34334.493
5.024520320D+06-1.742817868D+04 4.214870500D+01-2.084564791D-03 2.930051519D-07
-2.052079159D-11 5.206937300D-16 -1.154497653D+05-2.163947001D+02
H7F7 Gurvich,1989 pt1 p170 pt2 p313.
2 tpis89 H 7.00F 7.00 0.00 0.00 0.00 0 140.0444024 -2099698.974
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 40827.254
2.293867477D+05-3.220807860D+03 2.362235212D+01 4.366801880D-02-7.297990340D-05
6.041786420D-08-1.876025627D-11 -2.418637479D+05-8.838812260D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 40827.254
5.868789830D+06-2.050863473D+04 4.989176110D+01-2.640634895D-03 3.949796330D-07
-3.053515088D-11 9.282601780D-16 -1.330177809D+05-2.592385142D+02
He Ref-Elm. Moore,1971. Moore,1970a. Gordon,1999.
3 g 5/97 HE 1.00 0.00 0.00 0.00 0.00 0 4.0026020 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.453750000D+02 9.287239740D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.453750000D+02 9.287239740D-01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
3.396845420D+06-2.194037652D+03 3.080231878D+00-8.068957550D-05 6.252784910D-09
-2.574990067D-13 4.429960218D-18 1.650518960D+04-4.048814390D+00
He+ Moore,1971; Moore,1970a. Gordon,1999.
3 g 3/97 HE 1.00E -1.00 0.00 0.00 0.00 0 4.0020534 2378521.473
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.853233739D+05 1.621665557D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.853233739D+05 1.621665557D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.853233739D+05 1.621665557D+00
Hg Hf:Cox,1989. Moore,1971. Gordon,1999.
3 g 1/98 HG 1.00 0.00 0.00 0.00 0.00 0 200.5900000 61380.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 6.636900080D+03 6.800201540D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
5.146573510D+04-1.681269855D+02 2.718343098D+00-1.445026192D-04 5.158977660D-08
-9.472485010D-12 7.034797406D-16 7.688684930D+03 5.271236090D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
5.358443930D+08-4.433853810D+05 1.463223992D+02-2.318441669D-02 1.916335174D-06
-7.419662000D-11 1.067224054D-15 3.391999920D+06-1.201225990D+03
Hg+ Moore,1971. Gordon,1999.
3 g 7/97 HG 1.00E -1.00 0.00 0.00 0.00 0 200.5894514 1074643.128
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
4.098344940D-04-4.343581620D-06 2.500000019D+00-4.389036810D-11 5.563969200D-14
-3.638228260D-17 9.607881995D-21 1.285037483D+05 7.493344500D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-1.229984728D+04 2.732269908D+01 2.484182160D+00-4.426797610D-06 7.489685860D-09
-2.549887287D-12 2.819873366D-16 1.283188257D+05 7.625244570D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-5.498617710D+07 3.775543500D+04-7.155545550D+00 1.170310234D-03-7.931471440D-08
4.029174000D-12-7.741071633D-17 -1.676894201D+05 9.116750020D+01
HgBr2 Hf: Pankratz,1984. Chase,1998 p485 3/62.
2 g12/00 HG 1.00BR 2.00 0.00 0.00 0.00 0 360.3980000 -91311.616
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15658.384
-1.991826537D+03-1.902186083D+02 8.246401260D+00-1.607089392D-03 1.947654549D-06
-1.242873546D-09 3.241818310D-13 -1.230723096D+04-8.716659300D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15658.384
-2.243649290D+04-3.312652270D+00 7.502765170D+00-1.202360213D-06 2.830526999D-10
-3.407686700D-14 1.640497921D-18 -1.327483366D+04-4.368555600D+00
I Hf:Cox,1989. Moore,1971. Moore,1970a. Gordon,1999.
3 g 3/97 I 1.00 0.00 0.00 0.00 0.00 0 126.9044700 106760.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.698199675D+02-2.716437233D+00 2.517385557D+00-5.730692070D-05 1.031716184D-07
-9.670641930D-11 3.706471651D-14 1.210750090D+04 7.405823130D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-7.785860570D+05 2.303279568D+03 2.886686091D-03 1.180878463D-03-2.264074866D-07
1.963511339D-11-6.243525941D-16 -2.616792742D+03 2.558922997D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
4.747630780D+07-8.681111190D+04 3.950617020D+01-6.514063250D-03 5.380695340D-07
-1.969145066D-11 2.643177163D-16 6.384843030D+05-2.972997119D+02
I+ Moore,1971. Moore,1970a. Gordon,1999.
3 g10/97 I 1.00E -1.00 0.00 0.00 0.00 0 126.9039214 1121351.028
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-8.014969010D+02 8.139052610D+00 2.470174760D+00 4.161393820D-05 7.133397860D-09
-7.105950140D-11 4.873766102D-14 1.340794213D+05 7.903420090D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-7.788385330D+05 2.404962651D+03-1.791751142D-01 1.227311979D-03-1.801494030D-07
9.923983960D-12-9.775286439D-17 1.188531631D+05 2.710544347D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-6.314420010D+08 3.971131910D+05-9.860191990D+01 1.358236563D-02-9.920747650D-07
3.684927700D-11-5.301687095D-16 -3.001474591D+06 8.790468740D+02
I- Hotop,1985. Gordon,1999.
3 g10/97 I 1.00E 1.00 0.00 0.00 0.00 0 126.9050186 -194595.572
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.414970936D+04 6.113465380D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.414970936D+04 6.113465380D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.414970936D+04 6.113465380D+00
IF5 Gurvich,1989 pt1 p232 pt2 p123.
2 tpis89 I 1.00F 5.00 0.00 0.00 0.00 0 221.8964860 -841000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20044.142
2.026184530D+05-3.598183170D+03 2.530349738D+01-1.348602458D-02 1.105687229D-05
-4.707939510D-09 7.864411470D-13 -8.700147250D+04-1.112719941D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20044.142
-3.620506260D+05-1.639236093D+02 1.612272743D+01-4.914431550D-05 1.086015052D-08
-1.244672691D-12 5.763593620D-17 -1.061642293D+05-5.398773360D+01
IF7 Gurvich,1989 pt1 p234 pt2 p124.
2 tpis89 I 1.00F 7.00 0.00 0.00 0.00 0 259.8932924 -961500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24123.333
2.999853564D+05-5.501554130D+03 3.627133980D+01-2.095765818D-02 1.761972680D-05
-7.829142330D-09 1.405939372D-12 -9.331307660D+04-1.754216150D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24123.333
-5.614422640D+05-2.646288326D+02 2.219879891D+01-7.984221470D-05 1.768835964D-08
-2.031523755D-12 9.423767390D-17 -1.225245322D+05-8.774010730D+01
I2 Gurvich,1989 pt1 p220 pt2 p117.
2 tpis89 I 2.00 0.00 0.00 0.00 0.00 0 253.8089400 62420.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10116.122
-5.087968770D+03-1.249585210D+01 4.504219090D+00 1.370962533D-04-1.390523014D-07
1.174813853D-10-2.337541043D-14 6.213469810D+03 5.583836940D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10116.122
-5.632594160D+06 1.793961560D+04-1.723055169D+01 1.244214080D-02-3.332768580D-06
4.125477940D-10-1.960461713D-14 -1.068505292D+05 1.600531883D+02
In Hf:Gurvich,1996a. Johansson,1967. Moore,1971. Gordon,1999.
3 g 1/99 IN 1.00 0.00 0.00 0.00 0.00 0 114.8180000 240700.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6198.649
5.149518050D+04-9.177999020D+02 8.938687950D+00-2.224112602D-02 3.823881940D-05
-2.890116948D-08 8.047481221D-12 3.239031620D+04-2.764567028D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6198.649
-1.683608899D+06 2.210473186D+03 3.472219370D+00-1.082267422D-03 3.479699980D-07
-5.158092410D-11 3.183043089D-15 1.095965206D+04 2.557189088D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6198.649
-2.289146601D+06 3.908691060D+04-1.789204885D+01 3.655375250D-03-2.576493626D-07
7.929188320D-12-9.066642170D-17 -2.376257502D+05 1.738048645D+02
In+ IP:Johansson,1967. Moore,1971. Gordon,1999.
3 g 4/99 IN 1.00E -1.00 0.00 0.00 0.00 0 114.8174514 6996.425
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
2.150488908D-01-2.523854672D-03 2.500011877D+00-2.869063919D-08 3.753870400D-11
-2.525942419D-14 6.842932660D-18 9.610930170D+01 5.963254400D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
4.536995140D+04-1.445142103D+02 2.681812441D+00-1.157480060D-04 3.947714810D-08
-6.879243620D-12 4.819204920D-16 1.004261440D+03 4.683759180D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-6.188028020D+07 1.322640301D+04 7.453303840D+00-1.893250634D-03 2.114636410D-07
-8.432019810D-12 1.185570972D-16 -1.335858982D+05-2.765870435D+01
InBr Gurvich,1996a pt1 p291 pt2 p233
2 tpis96 IN 1.00BR 1.00 0.00 0.00 0.00 0 194.7220000 -54115.879
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10084.121
-2.540851435D+03-5.294704710D+01 4.717438090D+00-4.344669490D-04 6.513513640D-07
-4.403995150D-10 1.234046209D-13 -7.607594280D+03 4.258881000D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10084.121
7.948374420D+05-2.318183711D+03 7.032889580D+00-1.245920568D-03 3.276693350D-07
-3.003771106D-11 5.853192770D-16 6.957627290D+03-1.273502660D+01
InBr2 Gurvich,1996a pt1 p292 pt2 p234.
2 tpis96 IN 1.00BR 2.00 0.00 0.00 0.00 0 274.6260000 -149729.059
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14424.341
-6.619878900D+01-2.365897310D+02 7.926545160D+00-1.994547959D-03 2.420414153D-06
-1.548924922D-09 4.058148390D-13 -1.895355588D+04-5.338867540D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14424.341
-3.217162030D+05 4.792682100D+02 7.102649480D+00-5.514019780D-04 3.157862421D-07
-5.511254510D-11 3.172161390D-15 -2.370923659D+04 1.193263347D-01
InBr3 Gurvich,1996a pt1 p292 pt2 p236.
2 tpis96 IN 1.00BR 3.00 0.00 0.00 0.00 0 354.5300000 -256587.267
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19912.733
-4.990115300D+03-2.805930452D+02 1.110356060D+01-2.379995808D-03 2.887825281D-06
-1.844500707D-09 4.814395870D-13 -3.250504910D+04-1.871748987D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19912.733
-3.505783100D+04-4.858721320D+00 1.000406131D+01-1.767620958D-06 4.164016060D-10
-5.015528870D-14 2.415414123D-18 -3.393179240D+04-1.229069868D+01
InCL Gurvich,1996a pt1 p281 pt2 p225
2 tpis96 IN 1.00CL 1.00 0.00 0.00 0.00 0 150.2710000 -72147.883
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9752.117
6.430713030D+03-2.178267726D+02 5.418830900D+00-2.048005100D-03 2.702295936D-06
-1.795319798D-09 4.847469090D-13 -8.959841070D+03-1.202999253D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9752.117
-2.745751636D+05 8.940986910D+02 3.268118390D+00 9.180277780D-04-3.083262431D-07
5.745458810D-11-3.645275750D-15 -1.561603430D+04 1.266880374D+01
InCL2 Gurvich,1996a pt1 p283 pt2 p226.
2 tpis96 IN 1.00CL 2.00 0.00 0.00 0.00 0 185.7240000 -201483.416
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13956.384
9.935164870D+03-4.172101860D+02 8.588494910D+00-3.348385610D-03 3.997866640D-06
-2.525301853D-09 6.544490330D-13 -2.426480269D+04-1.164521725D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13956.384
-3.328719840D+05 4.757691610D+02 7.105443690D+00-5.525786960D-04 3.160567738D-07
-5.514453680D-11 3.173680380D-15 -2.995095917D+04-2.294555511D+00
InCL3 Gurvich,1996a pt1 p286 pt2 p228.
2 tpis96 IN 1.00CL 3.00 0.00 0.00 0.00 0 221.1770000 -369693.227
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18306.773
2.614743044D+04-8.414604560D+02 1.311784790D+01-6.435282470D-03 7.554874750D-06
-4.705078560D-09 1.204213663D-12 -4.326469580D+04-3.500080940D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18306.773
-7.114043630D+04-1.628425068D+01 1.001309622D+01-5.544528880D-06 1.279877732D-09
-1.518261505D-13 7.226562770D-18 -4.758974170D+04-1.669761011D+01
InF Gurvich,1996a pt1 p272 pt2 p217.
2 tpis96 IN 1.00F 1.00 0.00 0.00 0.00 0 133.8164032 -193419.989
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9217.111
3.190123320D+04-5.295254260D+02 6.172886260D+00-2.986035832D-03 3.233778030D-06
-1.856975575D-09 4.465024970D-13 -2.187176282D+04-7.591216620D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9217.111
-4.689001200D+05 1.321019051D+03 2.881329353D+00 1.041591078D-03-3.090754867D-07
4.926646560D-11-2.699156425D-15 -3.308369810D+04 1.396688303D+01
InF2 Gurvich,1996a pt1 p274 pt2 p218.
2 tpis96 IN 1.00F 2.00 0.00 0.00 0.00 0 152.8148064 -457186.824
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12588.776
7.522480210D+04-1.088616881D+03 9.481705210D+00-2.893229367D-03 1.516224649D-06
-7.989517810D-11-1.466781026D-13 -5.124336150D+04-2.146666090D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12588.776
4.318960340D+05-1.688472420D+03 8.925863010D+00-1.049188835D-03 2.723934190D-07
-2.882959902D-11 1.073493779D-15 -4.673691940D+04-1.932464363D+01
InF3 Gurvich,1996a pt1 p276 pt2 p220.
2 tpis96 IN 1.00F 3.00 0.00 0.00 0.00 0 171.8132096 -863079.566
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16320.434
1.071608336D+05-1.660071901D+03 1.395972813D+01-5.018693260D-03 3.226367530D-06
-7.823385970D-10-3.726999800D-14 -9.795214990D+04-4.606353470D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16320.434
-1.656855506D+05-7.965889290D+01 1.005913347D+01-2.350816639D-05 5.163512930D-09
-5.888048810D-13 2.715090697D-17 -1.068682627D+05-2.132968218D+01
InH Gurvich,1996a pt1 p269 pt2 p215
2 tpis96 IN 1.00H 1.00 0.00 0.00 0.00 0 115.8259400 215016.904
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8684.104
-5.152828720D+04 7.813792590D+02-8.433385340D-01 1.044471274D-02-9.761074820D-06
4.540635200D-09-8.169906900D-13 2.110048908D+04 2.939346222D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8684.104
7.797406660D+05-3.646882080D+03 9.542967350D+00-3.481281720D-03 1.304805603D-06
-2.182950701D-10 1.274009748D-14 4.643295460D+04-3.659329230D+01
InI Gurvich,1996a pt1 p298 pt2 p241.
2 tpis96 IN 1.00I 1.00 0.00 0.00 0.00 0 241.7224700 26417.124
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10271.124
-4.686348740D+02-5.685530990D+01 4.781849690D+00-6.619368310D-04 1.027666742D-06
-7.270592070D-10 2.077991102D-13 2.095570254D+03 4.885515130D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10271.124
1.529221772D+06-4.690373680D+03 1.004593462D+01-3.140434110D-03 9.460834390D-07
-1.253862848D-10 5.949805640D-15 3.152478143D+04-3.297697490D+01
InI2 Gurvich,1996a pt1 p300 pt2 p243.
2 tpis96 IN 1.00I 2.00 0.00 0.00 0.00 0 368.6269400 -39460.643
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14912.757
-4.513890600D+03-1.183726870D+02 7.473110080D+00-1.034474090D-03 1.271465534D-06
-8.227820300D-10 2.178307019D-13 -6.278536040D+03-6.667297500D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14912.757
-3.130671665D+05 4.813810700D+02 7.100914180D+00-5.506559920D-04 3.156120735D-07
-5.509170540D-11 3.171162830D-15 -1.043012750D+04 2.141662307D+00
InI3 Gurvich,1996a pt1 p301 pt2 p245.
2 tpis96 IN 1.00I 3.00 0.00 0.00 0.00 0 495.5314100 -105435.914
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20852.086
-8.728397170D+03-1.265914859D+02 1.050659120D+01-1.106109314D-03 1.354335766D-06
-8.709453460D-10 2.285186350D-13 -1.508269063D+04-1.211411745D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20852.086
-2.196742567D+04-2.151167521D+00 1.000182200D+01-8.002214700D-07 1.897343164D-10
-2.296252460D-14 1.109838196D-18 -1.572406335D+04-9.170888690D+00
InO Gurvich,1996a pt1 p261 pt2 p212
2 tpis96 IN 1.00O 1.00 0.00 0.00 0.00 0 130.8174000 145993.109
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9042.109
-1.154727169D+05 1.753668703D+03-6.965033810D+00 2.961698958D-02-3.123332334D-05
1.437244720D-08-2.235519898D-12 8.188679590D+03 6.608621260D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9042.109
-8.052130950D+05 1.693064203D+03 4.760863580D+00-7.340718400D-04 3.229597760D-07
-4.580150380D-11 1.954611725D-15 4.005519810D+03 3.500742460D+00
InOH Gurvich,1996a pt1 p271 pt2 p216.
2 tpis96 IN 1.00O 1.00H 1.00 0.00 0.00 0 131.8253400 -124447.344
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10736.839
6.123463020D+04-1.195863129D+03 1.041427981D+01-6.870002500D-03 6.214128780D-06
-2.408203181D-09 3.177641780D-13 -1.079852170D+04-3.189890840D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10736.839
8.525128930D+05-2.350317172D+03 7.984515140D+00 9.915815620D-05-6.212385450D-08
1.016169575D-11-5.682557640D-16 -1.536213610D+03-2.043107643D+01
In2Br2 Gurvich,1996a pt1 p294 pt2 p237.
2 tpis96 IN 2.00BR 2.00 0.00 0.00 0.00 0 389.4440000 -196305.215
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21434.943
-9.221188300D+03-3.616677030D+01 1.014728771D+01-3.255775200D-04 4.022327480D-07
-2.604080237D-10 6.867689550D-14 -2.644883479D+04-1.000360073D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21434.943
-1.290781804D+04-6.075401240D-01 1.000052163D+01-2.312058331D-07 5.517315720D-11
-6.708620190D-15 3.253841650D-19 -2.663136878D+04-9.149949470D+00
In2Br4 Gurvich,1996a pt1 p295 pt2 p238.
2 tpis96 IN 2.00BR 4.00 0.00 0.00 0.00 0 549.2520000 -436508.683
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 31798.117
-1.425555379D+04-2.866009341D+02 1.713866292D+01-2.473506655D-03 3.017273071D-06
-1.934900430D-09 5.065874250D-13 -5.593753060D+04-3.837105980D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 31798.117
-4.453463710D+04-4.911523980D+00 1.600413764D+01-1.810579975D-06 4.281715740D-10
-5.171998020D-14 2.496142837D-18 -5.739175410D+04-3.174906390D+01
In2Br6 Gurvich,1996a pt1 p296 pt2 p239.
2 tpis96 IN 2.00BR 6.00 0.00 0.00 0.00 0 709.0600000 -628683.430
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 43096.728
-1.758940752D+04-4.859034480D+02 2.391654505D+01-4.142061490D-03 5.033849320D-06
-3.219103650D-09 8.410220070D-13 -7.988844460D+04-6.437871880D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 43096.728
-6.945039480D+04-8.402368170D+00 2.200703884D+01-3.068251799D-06 7.235965730D-10
-8.722870580D-14 4.203469910D-18 -8.235759850D+04-5.322192800D+01
In2CL2 Gurvich,1996a pt1 p287 pt2 p229.
2 tpis96 IN 2.00CL 2.00 0.00 0.00 0.00 0 300.5420000 -232177.375
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20223.895
-1.142848747D+04-1.416015827D+02 1.056853314D+01-1.244253440D-03 1.526076784D-06
-9.826402810D-10 2.580766990D-13 -3.026327087D+04-1.565104960D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20223.895
-2.616606332D+04-2.401955489D+00 1.000203984D+01-8.975190030D-07 2.130755553D-10
-2.581140900D-14 1.248404822D-18 -3.098016735D+04-1.234946505D+01
In2CL4 Gurvich,1996a pt1 p287 pt2 p230.
2 tpis96 IN 2.00CL 4.00 0.00 0.00 0.00 0 371.4480000 -579125.856
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 29456.525
9.814083080D+03-8.488959010D+02 1.923410360D+01-6.815674240D-03 8.129220730D-06
-5.125076850D-09 1.324324755D-12 -7.027688140D+04-5.582665695D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 29456.525
-8.503771790D+04-1.552464614D+01 1.601269668D+01-5.441549870D-06 1.267594997D-09
-1.514110365D-13 7.245404540D-18 -7.461921740D+04-3.691150615D+01
In2CL6 Gurvich,1996a pt1 p288 pt2 p231.
2 tpis96 IN 2.00CL 6.00 0.00 0.00 0.00 0 442.3540000 -882340.029
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 38423.462
3.004663159D+04-1.585621359D+03 2.796489470D+01-1.245506052D-02 1.475341213D-05
-9.252689200D-09 2.381233885D-12 -1.048828300D+05-9.788404640D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 38423.462
-1.499400484D+05-2.988680816D+01 2.202425362D+01-1.033652301D-05 2.397911922D-09
-2.855307516D-13 1.363051661D-17 -1.130110233D+05-6.293985680D+01
In2F2 Gurvich,1996a pt1 p276 pt2 p221.
2 tpis96 IN 2.00F 2.00 0.00 0.00 0.00 0 267.6328064 -532234.300
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18039.900
7.255717100D+03-6.448265650D+02 1.247539512D+01-5.246089620D-03 6.283616210D-06
-3.974342340D-09 1.029559356D-12 -6.384892450D+04-3.108004586D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18039.900
-6.409715440D+04-1.163740672D+01 1.000956511D+01-4.114086910D-06 9.608828320D-10
-1.150013486D-13 5.511437480D-18 -6.714277850D+04-1.661718474D+01
In2F4 Gurvich,1996a pt1 p277 pt2 p222.
2 tpis96 IN 2.00F 4.00 0.00 0.00 0.00 0 305.6296128 -1284788.126
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24763.074
1.225213611D+05-2.444998374D+03 2.342425457D+01-1.291427120D-02 1.308700476D-05
-7.181673930D-09 1.648386404D-12 -1.466942111D+05-8.943560050D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24763.074
-2.205977486D+05-7.822083770D+01 1.605923872D+01-2.394023240D-05 5.329582790D-09
-6.144609570D-13 2.859099598D-17 -1.595716347D+05-4.469574580D+01
In2F6 Gurvich,1996a pt1 p279 pt2 p223.
2 tpis96 IN 2.00F 6.00 0.00 0.00 0.00 0 343.6264192 -1960000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 33567.102
1.825490583D+05-3.552111710D+03 3.275425230D+01-1.868064635D-02 1.892443162D-05
-1.038916311D-08 2.386637271D-12 -2.239648760D+05-1.363626758D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 33567.102
-3.170966380D+05-1.167440973D+02 2.208847456D+01-3.577733930D-05 7.968959040D-09
-9.191681700D-13 4.278494150D-17 -2.426661118D+05-7.155328560D+01
In2I2 Gurvich,1996a pt1 p303 pt2 p246.
2 tpis96 IN 2.00I 2.00 0.00 0.00 0.00 0 483.4449400 -27813.524
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22058.476
-6.681925010D+03-1.449103222D+01 1.005929122D+01-1.314921486D-04 1.628373589D-07
-1.056087811D-10 2.788963879D-14 -6.279602600D+03-7.291130980D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22058.476
-8.148157300D+03-2.444544443D-01 1.000021086D+01-9.376789250D-08 2.242988180D-11
-2.732299303D-15 1.327135699D-19 -6.352651500D+03-6.947725420D+00
In2I4 Gurvich,1996a pt1 p304 pt2 p247.
2 tpis96 IN 2.00I 4.00 0.00 0.00 0.00 0 737.2538800 -199143.181
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 33468.979
-1.501028064D+04-9.744797900D+01 1.639383950D+01-8.659380210D-04 1.065671801D-06
-6.879252680D-10 1.810240886D-13 -2.830388443D+04-2.986294828D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 33468.979
-2.505699251D+04-1.642155234D+00 1.600140149D+01-6.187066280D-07 1.472308565D-10
-1.786593333D-14 8.652338780D-19 -2.879655333D+04-2.757790375D+01
In2I6 Gurvich,1996a pt1 p305 pt2 p248.
2 tpis96 IN 2.00I 6.00 0.00 0.00 0.00 0 991.0628200 -319720.040
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 45088.120
-2.232640607D+04-2.000786874D+02 2.280417927D+01-1.761331313D-03 2.161510393D-06
-1.392400447D-09 3.658171880D-13 -4.412547680D+04-5.273802030D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 45088.120
-4.311905850D+04-3.390350590D+00 2.200288128D+01-1.268348706D-06 3.012121900D-10
-3.649676710D-14 1.765530622D-18 -4.513820270D+04-4.806868370D+01
In2O Gurvich,1996a pt1 p264 pt2 p213.
2 tpis96 IN 2.00O 1.00 0.00 0.00 0.00 0 245.6354000 -34763.707
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12796.504
5.065653500D+04-8.070363670D+02 8.642067270D+00-1.533035446D-03 2.866419382D-07
4.981134970D-10-2.554320291D-13 -1.924908459D+03-1.490718759D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12796.504
-9.232786360D+04-5.201127280D+01 7.038723620D+00-1.543821179D-05 3.399700870D-09
-3.885457100D-13 1.795125270D-17 -6.270926800D+03-4.421820410D+00
K Hf:Cox,1989. Sugar,1985. Gordon 1999.
3 g 7/97 K 1.00 0.00 0.00 0.00 0.00 0 39.0983000 89000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
9.665143930D+00-1.458059455D-01 2.500865861D+00-2.601219276D-06 4.187306580D-09
-3.439722110D-12 1.131569009D-15 9.959493490D+03 5.035822260D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-3.566422360D+06 1.085289825D+04-1.054134898D+01 8.009801350D-03-2.696681041D-06
4.715294150D-10-2.976897350D-14 -5.875337010D+04 9.738551240D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
9.205786590D+08-6.935300280D+05 1.911270788D+02-2.305931672D-02 1.430294866D-06
-4.409335020D-11 5.366769166D-16 5.395082190D+06-1.622158805D+03
K+ Sugar,1985. Gordon 1999.
3 g 6/97 K 1.00E -1.00 0.00 0.00 0.00 0 39.0977514 514007.528
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 6.107516860D+04 4.347404440D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 6.107516860D+04 4.347404440D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
2.177901245D+07-1.415076630D+04 6.248954270D+00-5.187436800D-04 3.959640680D-08
-1.584335542D-12 2.603558905D-17 1.722753576D+05-2.781728990D+01
K- Hotop,1985. Gordon 1999.
3 g 9/97 K 1.00E 1.00 0.00 0.00 0.00 0 39.0988486 34418.128
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 3.394150710D+03 4.347446530D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 3.394150710D+03 4.347446530D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 3.394150710D+03 4.347446530D+00
KALF4 Gurvich,1982 pt1 p417 pt2 p441.
2 tpis82 K 1.00AL 1.00F 4.00 0.00 0.00 0 142.0734508 -1907856.822
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21421.391
1.199327246D+05-2.156457352D+03 1.815348004D+01 3.115762809D-03-9.511991670D-06
8.431756230D-09-2.615583061D-12 -2.222545809D+05-6.823299970D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21421.391
-3.435135370D+05-2.420680834D+02 1.618029250D+01-7.193817680D-05 1.585712708D-08
-1.814017733D-12 8.388391180D-17 -2.339658121D+05-5.233898700D+01
KBO2 Gurvich,1982 pt1 p415 pt2 p439.
2 tpis82 K 1.00B 1.00O 2.00 0.00 0.00 0 81.9081000 -668023.297
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14090.703
4.296308650D+04-7.209616430D+02 8.349639350D+00 2.407820401D-03-1.680003427D-07
-1.231930486D-09 5.479951640D-13 -7.868523470D+04-1.476077068D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14090.703
8.890726600D+04-1.671432436D+03 1.117483930D+01-4.513760260D-04 9.699003460D-08
-1.090027690D-11 4.976845800D-16 -7.375336080D+04-3.274749370D+01
KBr Gurvich,1982 pt1 p396 pt2 p423.
2 tpis82 K 1.00BR 1.00 0.00 0.00 0.00 0 119.0023000 -179250.878
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10109.122
9.203309190D+03-2.137880361D+02 5.588509150D+00-2.753854319D-03 4.013672610D-06
-2.856323127D-09 8.135209740D-13 -2.188387013D+04-1.707501588D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10109.122
1.562614367D+06-4.384894780D+03 9.045464600D+00-2.045680900D-03 4.401923850D-07
-1.448178289D-11-2.273338760D-15 5.315342010D+03-2.864647026D+01
KCN Chase,1998 p620.
2 j 3/66 K 1.00C 1.00N 1.00 0.00 0.00 0 65.1157000 79496.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12456.334
1.798627669D+04-6.300558970D+02 9.988695000D+00-1.076486132D-02 1.751014980D-05
-1.265592431D-08 3.469762810D-12 1.058025371D+04-2.594060289D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12456.334
3.615663870D+05-1.749018011D+03 8.680702670D+00-4.402350040D-04 9.249499710D-08
-1.021916855D-11 4.604767190D-16 1.813734856D+04-2.281619241D+01
KCL Gurvich,1982 pt1 p393 pt2 p420.
2 tpis82 K 1.00CL 1.00 0.00 0.00 0.00 0 74.5513000 -214574.881
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9885.119
9.058351510D+03-2.456801212D+02 5.680696190D+00-2.900127425D-03 4.130983060D-06
-2.907340629D-09 8.223850870D-13 -2.597304884D+04-3.677976854D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9885.119
-2.122945722D+05 9.346158900D+02 2.866264958D+00 1.468386693D-03-5.834260780D-07
1.255777709D-10-9.150148000D-15 -3.273787640D+04 1.401864636D+01
KF Gurvich,1982 pt1 p389 pt2 p417.
2 tpis82 K 1.00F 1.00 0.00 0.00 0.00 0 58.0967032 -328444.886
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9455.114
1.435704906D+04-3.391848230D+02 5.727906720D+00-2.518371562D-03 3.265915640D-06
-2.210110860D-09 6.212042050D-13 -3.914254420D+04-5.810999620D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9455.114
-1.483743237D+06 4.550048040D+03-1.081464319D+00 3.503965880D-03-1.093902537D-06
1.771028824D-10-1.029032783D-14 -6.963329810D+04 4.088635920D+01
KH Gurvich,1982 pt1 p383 pt2 p412.
2 tpis82 K 1.00H 1.00 0.00 0.00 0.00 0 40.1062400 125399.106
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8795.106
2.237782150D+02 1.793554623D+02 1.130735415D+00 9.966112560D-03-1.341218171D-05
9.034529940D-09-2.409887770D-12 1.338250358D+04 1.552739897D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8795.106
-3.752276520D+06 1.172778444D+04-1.014137678D+01 8.854548900D-03-2.517188074D-06
3.344072360D-10-1.701157835D-14 -6.025103300D+04 1.010304590D+02
KI Gurvich,1982 pt1 p400 pt2 p426.
2 tpis82 K 1.00I 1.00 0.00 0.00 0.00 0 166.0027700 -128455.877
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10244.123
-4.572811740D+02-6.331769730D+01 4.823292420D+00-7.876668320D-04 1.336737911D-06
-1.000530992D-09 3.004503956D-13 -1.650340769D+04 3.552594820D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10244.123
3.293747780D+06-1.002824194D+04 1.629302044D+01-6.696396750D-03 2.001412089D-06
-2.677673023D-10 1.273359646D-14 4.676348670D+04-7.859123370D+01
KLi Gurvich,1982 pt1 p419 pt2 p444.
2 tpis82 K 1.00LI 1.00 0.00 0.00 0.00 0 46.0393000 170702.323
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10197.123
-3.426043690D+03-1.986063081D+01 4.487607050D+00 5.249535550D-04-1.207990165D-06
1.705161047D-09-7.879994210D-13 1.927868247D+04 1.912285942D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10197.123
1.211296843D+07-4.081004870D+04 5.683792120D+01-3.128695515D-02 8.975062200D-06
-1.189303691D-09 5.880129180D-14 2.738792595D+05-3.669693600D+02
KNO2 Gurvich,1982 pt1 p406 pt2 p431.
2 tpis82 K 1.00N 1.00O 2.00 0.00 0.00 0 85.1038000 -192497.394
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15342.606
-7.246236930D+04 1.226722811D+03-2.258926457D+00 3.019643903D-02-3.640259950D-05
2.219135205D-08-5.471654230D-12 -3.077268960D+04 4.537172549D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15342.606
-1.689414093D+05-8.515973150D+02 1.063209586D+01-2.523254810D-04 5.573644410D-08
-6.393185920D-12 2.964484049D-16 -2.187701436D+04-2.755200432D+01
KNO3 Gurvich,1982 pt1 p409 pt2 p433.
2 tpis82 K 1.00N 1.00O 3.00 0.00 0.00 0 101.1032000 -315832.888
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15917.112
-2.596112303D+04 8.200606610D+02-2.886015624D+00 4.207288900D-02-5.270323090D-05
3.308561730D-08-8.365860370D-12 -4.335054470D+04 4.603187331D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15917.112
-3.183682870D+05-1.375234449D+03 1.401587531D+01-4.040660080D-04 8.900847780D-08
-1.018771993D-11 4.715982020D-16 -3.513853220D+04-4.804256439D+01
KNa Gurvich,1982 pt1 p420 pt2 p445.
2 tpis82 K 1.00NA 1.00 0.00 0.00 0.00 0 62.0880700 132404.327
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10574.127
2.542405292D+04-4.119207410D+02 6.841087950D+00-6.250481380D-03 8.861013140D-06
-4.922415350D-09 6.493212470D-13 1.652599890D+04-9.136166910D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10574.127
6.260326620D+06-2.563593614D+04 4.373335450D+01-2.672655110D-02 8.232705790D-06
-1.128503590D-09 5.663264890D-14 1.697274909D+05-2.664117219D+02
KO Gurvich,1982 pt1 p375 pt2 p404.
2 tpis82 K 1.00O 1.00 0.00 0.00 0.00 0 55.0977000 64733.314
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9481.114
1.462562908D+04-3.384765650D+02 5.716607640D+00-2.363265083D-03 2.848716276D-06
-1.739858233D-09 4.431006520D-13 8.141835380D+03-4.022101520D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9481.114
6.960103380D+05-3.304835290D+03 1.005743444D+01-4.331112000D-03 1.747281632D-06
-3.012370548D-10 1.790827870D-14 2.604972496D+04-3.448781520D+01
KOH Gurvich,1997.
2 g 9/97 K 1.00O 1.00H 1.00 0.00 0.00 0 56.1056400 -232000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11674.650
1.770684196D+04-6.153205220D+02 8.684075720D+00-3.962849510D-03 3.408650590D-06
-9.601972220D-10 8.494054970D-15 -2.677903261D+04-2.174495666D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11674.650
8.917271950D+05-2.334179072D+03 7.972578710D+00 1.038863156D-04-6.315893470D-08
1.027938106D-11-5.736685820D-16 -1.443696469D+04-2.076401416D+01
K2 Gurvich,1982 pt1 p370 pt2 p402.
2 tpis82 K 2.00 0.00 0.00 0.00 0.00 0 78.1966000 126546.329
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10741.129
1.524169293D+04-3.301789360D+02 7.070795950D+00-9.767072460D-03 2.021535863D-05
-1.886092452D-08 6.112974640D-12 1.533402849D+04-9.101035800D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10741.129
-2.734470745D+07 6.562180010D+04-4.476350440D+01 8.938859150D-03 2.984557092D-06
-1.064158914D-09 8.334936930D-14 -4.226243830D+05 3.867142510D+02
K2+ Gurvich,1982 pt1 p374 pt2 p403.
2 tpis82 K 2.00E -1.00 0.00 0.00 0.00 0 78.1960514 524660.731
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10861.131
5.196036570D+04-6.113382530D+02 7.264990540D+00-5.810634820D-03 6.567496500D-06
-2.378020865D-09-1.318637581D-13 6.479820270D+04-1.042370517D+01
1000.000 3000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10861.131
1.107950739D+07-4.177483820D+04 6.448659840D+01-4.024998030D-02 1.360587923D-05
-2.361920107D-09 1.673430610D-13 3.177612050D+05-4.105063100D+02
K2Br2 Gurvich,1982 pt1 p397 pt2 p424.
2 tpis82 K 2.00BR 2.00 0.00 0.00 0.00 0 238.0046000 -538744.193
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20951.806
-1.093040504D+04-4.856651480D+01 1.019754923D+01-4.363157100D-04 5.387173660D-07
-3.486116500D-10 9.190702950D-14 -6.758073240D+04-1.294944706D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20951.806
-1.589229976D+04-8.101379460D-01 1.000069442D+01-3.074491521D-07 7.331024160D-11
-8.908944780D-15 4.319245430D-19 -6.782595440D+04-1.180425726D+01
K2CO3 Gurvich,1982 pt1 p411 pt2 p435.
2 tpis82 K 2.00C 1.00O 3.00 0.00 0.00 0 138.2055000 -811649.163
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19515.837
-4.407406700D+04 7.069815440D+02 6.931482470D-01 3.967831320D-02-4.850958300D-05
2.976635787D-08-7.374761530D-12 -1.033913232D+05 2.980651689D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19515.837
-3.264263160D+05-1.521168973D+03 1.712283562D+01-4.464580710D-04 9.833379630D-08
-1.125478371D-11 5.210069120D-16 -9.488275100D+04-6.215220630D+01
K2C2N2 Chase,1998 p678.
2 j 3/66 K 2.00C 2.00N 2.00 0.00 0.00 0 130.2314000 -8368.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24786.242
4.627789480D+03-9.729810620D+02 1.996665910D+01-1.953015081D-02 3.275330460D-05
-2.393985120D-08 6.596548240D-12 -7.774411260D+02-6.755613632D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24786.242
7.269599500D+05-3.492108680D+03 1.835676822D+01-8.785475140D-04 1.845532919D-07
-2.038717568D-11 9.185420990D-16 1.582600773D+04-6.728484052D+01
K2CL2 Gurvich,1982 pt1 p393 pt2 p421.
2 tpis82 K 2.00CL 2.00 0.00 0.00 0.00 0 149.1026000 -615393.663
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19963.448
-1.328526456D+04-1.241832429D+02 1.050035730D+01-1.097776004D-03 1.348871402D-06
-8.697215120D-10 2.286584080D-13 -7.644363150D+04-1.790150052D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19963.448
-2.614611331D+04-2.096229095D+00 1.000178456D+01-7.864803710D-07 1.869281152D-10
-2.266272348D-14 1.096790704D-18 -7.707189330D+04-1.499720802D+01
K2F2 Gurvich,1982 pt1 p389 pt2 p418.
2 tpis82 K 2.00F 2.00 0.00 0.00 0.00 0 116.1934064 -859875.481
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18125.626
-1.611833856D+03-5.135644890D+02 1.199922511D+01-4.280109550D-03 5.165387540D-06
-3.285814900D-09 8.549648750D-13 -1.039248602D+05-3.039925079D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18125.626
-5.740892530D+04-9.046182110D+00 1.000750685D+01-3.250764840D-06 7.630064590D-10
-9.165649530D-14 4.405048440D-18 -1.065413546D+05-1.874037620D+01
K2I2 Gurvich,1982 pt1 p401 pt2 p427.
2 tpis82 K 2.00I 2.00 0.00 0.00 0.00 0 332.0055400 -418915.452
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21456.548
-8.977752440D+03-2.776460169D+01 1.011331014D+01-2.508421994D-04 3.102352114D-07
-2.010096209D-10 5.304437150D-14 -5.326208390D+04-1.032092509D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21456.548
-1.179634729D+04-4.724761550D-01 1.000040695D+01-1.807689054D-07 4.320560970D-11
-5.259699430D-15 2.553419144D-19 -5.340210230D+04-9.664440500D+00
K2O Gurvich,1982 pt1 p377 pt2 p407.
2 tpis82 K 2.00O 1.00 0.00 0.00 0.00 0 94.1960000 -74086.902
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13858.298
2.392044068D+04-5.445358390D+02 8.826403230D+00-3.481429430D-03 3.834542070D-06
-2.268494189D-09 5.569212250D-13 -8.234291680D+03-1.663099064D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13858.298
-4.611464580D+04-1.363119524D+01 7.010530440D+00-4.323658260D-06 9.747788420D-10
-1.135283694D-13 5.325860600D-18 -1.107222244D+04-5.768718720D+00
K2O+ Gurvich,1982 pt1 p379 pt2 p408.
2 tpis82 K 2.00O 1.00E -1.00 0.00 0.00 0 94.1954514 368390.321
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14138.121
7.201102730D+03-3.336526400D+02 8.050730350D+00-1.869353797D-03 1.921291874D-06
-1.064020951D-09 2.457514799D-13 4.389986360D+04-1.073204150D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14138.121
-3.780033500D+04-8.849537390D+00 7.006847890D+00-2.815510856D-06 6.355001500D-10
-7.408551990D-14 3.478334960D-18 4.214519680D+04-4.418276610D+00
K2O2 Gurvich,1982 pt1 p381 pt2 p410.
2 tpis82 K 2.00O 2.00 0.00 0.00 0.00 0 110.1954000 -191566.301
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16289.803
4.810870610D+04-1.003601504D+03 1.154229002D+01-4.546332520D-04-1.516606209D-06
1.799426090D-09-6.128337290D-13 -2.057151920D+04-3.181199790D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16289.803
-1.476073073D+05-1.021932040D+02 1.007664713D+01-3.076517991D-05 6.815252810D-09
-7.828654450D-13 3.632506100D-17 -2.592056324D+04-2.162287184D+01
K2O2H2 Gurvich,1997.
2 g 9/97 K 2.00O 2.00H 2.00 0.00 0.00 0 112.2112800 -641000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22384.933
8.174788370D+03-1.130630680D+03 1.815303256D+01-7.737431080D-03 6.837614010D-06
-2.054691111D-09 7.672877510D-14 -7.574965170D+04-6.391759470D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22384.933
1.773523196D+06-4.665292470D+03 1.694308128D+01 2.085297143D-04-1.264714762D-07
2.057506565D-11-1.148042134D-15 -5.051263310D+04-6.334773920D+01
K2SO4 Gurvich,1982 pt1 p404 pt2 p429.
2 g10/99 K 2.00S 1.00O 4.00 0.00 0.00 0 174.2592000 -1095851.121
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22283.879
6.271492310D+04-8.152049920D+02 7.455413720D+00 3.849909780D-02-5.400630980D-05
3.654656800D-08-9.760223570D-12 -1.304692568D+05-1.034634770D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22283.879
-5.446125640D+05-9.590667230D+02 1.971591285D+01-2.866586009D-04 6.342480640D-08
-7.281462540D-12 3.377886930D-16 -1.337873384D+05-7.399103551D+01
Kr Ref-Elm. Sugar,1991.
3 g 8/97 KR 1.00 0.00 0.00 0.00 0.00 0 83.8000000 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.453750000D+02 5.490956510D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
2.643639057D+02-7.910050820D-01 2.500920585D+00-5.328164110D-07 1.620730161D-10
-2.467898017D-14 1.478585040D-18 -7.403488940D+02 5.484398150D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-1.375531087D+09 9.064030530D+05-2.403481435D+02 3.378312030D-02-2.563103877D-06
9.969787790D-11-1.521249677D-15 -7.111667370D+06 2.086866326D+03
Kr+ Sugar,1991. Gordon,1999.
3 g 7/97 KR 1.00E -1.00 0.00 0.00 0.00 0 83.7994514 1356953.918
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-5.650402860D+03 6.930740810D+01 2.157028132D+00 8.711228930D-04-1.181609730D-06
7.862198630D-10-1.832589387D-13 1.621164118D+05 8.818242260D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-2.216567015D+05 1.166167840D+03 4.869655320D-01 1.429223599D-03-3.949628610D-07
4.982853510D-11-2.406719258D-15 1.556002861D+05 2.059230986D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-3.319875960D+07 1.797953100D+04-7.155015940D-01 2.671088984D-04-6.196251880D-09
-4.107025960D-13 2.000619351D-17 1.648114259D+04 3.620325750D+01
Li Hf:Cox,1989. Moore,1971. Gordon,1999.
3 g 7/97 LI 1.00 0.00 0.00 0.00 0.00 0 6.9410000 159300.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.841390197D+04 2.447622965D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.125610652D+06-3.463536730D+03 6.566611920D+00-2.260983356D-03 5.922289160D-07
-6.281635100D-11 2.884948238D-15 4.034637400D+04-2.655918195D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
2.604352623D+09-1.521952201D+06 3.454400500D+02-3.779674850D-02 2.222420069D-06
-6.691570800D-11 8.088023606D-16 1.217791847D+07-3.006680193D+03
Li+ Moore,1971. Gordon,1999.
3 g 3/97 LI 1.00E -1.00 0.00 0.00 0.00 0 6.9404514 685719.428
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 8.172724550D+04 1.754357228D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 8.172724550D+04 1.754357228D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 8.172724550D+04 1.754357228D+00
Li- Hotop,1985. Gordon,1999.
3 g 1/98 LI 1.00E 1.00 0.00 0.00 0.00 0 6.9415486 93474.728
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.049698659D+04 1.754594332D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.049698659D+04 1.754594332D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.049698659D+04 1.754594332D+00
LiALF4 Gurvich,1982 pt1 p300 pt2 p333.
2 tpis82 LI 1.00AL 1.00F 4.00 0.00 0.00 0 109.9161508 -1857287.824
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19534.389
1.761529360D+05-2.999300134D+03 2.079739570D+01-1.742914656D-03-4.266642090D-06
5.362829770D-09-1.866817087D-12 -2.117947828D+05-8.762725890D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19534.389
-4.020700930D+05-2.783355146D+02 1.620791185D+01-8.316341570D-05 1.836905690D-08
-2.104932808D-12 9.747253020D-17 -2.278696416D+05-5.597304840D+01
LiBO2 Gurvich,1982 pt1 p299 pt2 p332.
2 tpis82 LI 1.00B 1.00O 2.00 0.00 0.00 0 49.7508000 -652352.276
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13427.724
6.518987570D+04-1.060320845D+03 9.548049960D+00-5.469576070D-05 2.658687599D-06
-2.931603694D-09 9.663029730D-13 -7.506204110D+04-2.490883998D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13427.724
8.554404520D+04-1.731920898D+03 1.121462090D+01-4.659162170D-04 9.999875690D-08
-1.122880592D-11 5.123529460D-16 -7.154743820D+04-3.612397290D+01
LiBr Gurvich,1982 pt1 p285 pt2 p318.
2 tpis82 LI 1.00BR 1.00 0.00 0.00 0.00 0 86.8450000 -151162.890
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9173.110
3.805620470D+04-6.129614990D+02 6.577369550D+00-4.219891760D-03 5.391423370D-06
-3.693144810D-09 1.049158761D-12 -1.637487617D+04-1.128654012D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9173.110
6.380191420D+04-2.597050764D+02 4.656768870D+00 1.022867706D-04-5.178252340D-08
2.058203991D-11-1.942190308D-15 -1.793363752D+04-2.290806613D-01
LiCL Gurvich,1982 pt1 p281 pt2 p314.
2 tpis82 LI 1.00CL 1.00 0.00 0.00 0.00 0 42.3940000 -193779.891
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9060.109
4.964399500D+04-7.187346620D+02 6.785147030D+00-4.522145460D-03 5.748483700D-06
-3.966255670D-09 1.137911398D-12 -2.091014703D+04-1.406383901D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9060.109
-2.352769705D+05 6.120046920D+02 3.634293730D+00 6.810973320D-04-2.174238799D-07
4.220403610D-11-2.848628426D-15 -2.862358494D+04 5.618511135D+00
LiF Gurvich,1982 pt1 p275 pt2 p310.
2 tpis89 LI 1.00F 1.00 0.00 0.00 0.00 0 25.9394032 -340944.894
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8828.106
2.912537320D+04-2.531413159D+02 3.539727980D+00 3.695917040D-03-4.829466150D-06
2.944090711D-09-6.838794740D-13 -4.064849660D+04 2.325294408D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8828.106
-3.784246490D+05 7.668062460D+02 3.585473400D+00 6.031084350D-04-1.588764206D-07
2.569397177D-11-1.406798386D-15 -4.756469450D+04 4.385163290D+00
LiH Gurvich,1982 pt1 p265 pt2 p301.
2 tpis82 LI 1.00H 1.00 0.00 0.00 0.00 0 7.9489400 139264.104
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8686.104
-4.913731570D+04 7.756092190D+02-1.011102377D+00 1.145479597D-02-1.151038734D-05
5.875068960D-09-1.196789735D-12 1.204858910D+04 2.568801877D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8686.104
-2.633686357D+06 6.996429170D+03-3.233533060D+00 4.033935980D-03-9.099579640D-07
8.775909870D-11-2.889490251D-15 -2.990043016D+04 4.971984500D+01
LiI Gurvich,1982 pt1 p289 pt2 p322.
2 tpis82 LI 1.00I 1.00 0.00 0.00 0.00 0 133.8454700 -85269.888
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9290.112
4.071976370D+04-6.667289470D+02 7.064257530D+00-5.480041020D-03 6.905790160D-06
-4.537168520D-09 1.226373296D-12 -8.235487020D+03-1.296236234D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9290.112
1.616342632D+06-4.877717080D+03 9.987186550D+00-2.889137815D-03 8.037313770D-07
-9.028172610D-11 3.078321954D-15 1.937718764D+04-3.729276310D+01
LiN Chase,1998 p1500.
2 j12/66 LI 1.00N 1.00 0.00 0.00 0.00 0 20.9477000 334720.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8999.148
3.764959200D+04-4.883457630D+02 5.187373450D+00 2.275252171D-04-1.416337564D-06
1.450236258D-09-4.790014330D-13 4.161915310D+04-5.952157244D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8999.148
-5.993489980D+04-4.031134550D+01 4.529624210D+00 8.744156930D-05 2.557428364D-09
-2.905751800D-13 1.336125922D-17 3.894831130D+04-1.214952896D+00
LiNO2 Gurvich,1982 pt1 p294 pt2 p327.
2 tpis82 LI 1.00N 1.00O 2.00 0.00 0.00 0 52.9465000 -202031.208
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13368.792
-3.133773859D+04 5.389940810D+02-2.059877081D-02 2.610777454D-02-3.209235040D-05
1.974344044D-08-4.892199160D-12 -2.838214963D+04 2.710019529D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13368.792
-2.196671160D+05-8.610042710D+02 1.063956465D+01-2.554392587D-04 5.644478540D-08
-6.476140050D-12 3.003536591D-16 -2.313547535D+04-3.238277103D+01
LiNO3 Gurvich,1982 pt1 p296 pt2 p329.
2 tpis82 LI 1.00N 1.00O 3.00 0.00 0.00 0 68.9459000 -311584.675
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13915.325
1.967205518D+04 9.052795260D+01-5.109770400D-01 3.756605950D-02-4.782738650D-05
3.029277805D-08-7.708013150D-12 -3.907563990D+04 2.746873033D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13915.325
-3.559402450D+05-1.447644737D+03 1.406684061D+01-4.236371280D-04 9.320824510D-08
-1.065894872D-11 4.930780620D-16 -3.434827460D+04-5.275382697D+01
LiO Gurvich,1982 pt1 p256 pt2 p294.
2 tpis82 LI 1.00O 1.00 0.00 0.00 0.00 0 22.9404000 72914.313
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9362.113
3.627029760D+04-3.499363230D+02 4.394933180D+00 1.079712984D-03-8.724038810D-07
5.607962970D-10-2.054288457D-13 9.533330530D+03-9.058149610D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9362.113
1.612392133D+06-5.551312340D+03 1.120573851D+01-3.437226880D-03 9.133194660D-07
-1.027902258D-10 3.822991000D-15 4.201575470D+04-4.857354580D+01
LiOF Chase,1998 p1069.
2 j 9/65 LI 1.00O 1.00F 1.00 0.00 0.00 0 41.9388032 -92048.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10827.363
5.510110690D+04-5.770688170D+02 4.424954930D+00 1.102425422D-02-1.710493381D-05
1.234361201D-08-3.453693000D-12 -9.278986980D+03 1.238830687D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10827.363
-1.833563281D+05-2.110049301D+02 7.156818170D+00-6.249462010D-05 1.376567002D-08
-1.574099067D-12 7.277167140D-17 -1.254530277D+04-1.272130479D+01
LiOH Gurvich,1996b.
2 g12/96 LI 1.00O 1.00H 1.00 0.00 0.00 0 23.9483400 -229000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11336.961
4.574190120D+03-1.030949027D+02 4.272407370D+00 8.465219230D-03-1.386148524D-05
1.101099795D-08-3.291248210D-12 -2.848728855D+04-8.775745780D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11336.961
8.500751370D+05-2.430540791D+03 8.055314620D+00 6.895680880D-05-5.527207460D-08
9.368054030D-12-5.313785680D-16 -1.365894396D+04-2.457598093D+01
LiON Chase,1998 p1501.
2 j 9/66 LI 1.00O 1.00N 1.00 0.00 0.00 0 36.9471000 179912.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11300.979
-9.412672670D+03 1.009332300D+02 3.006187607D+00 9.890462200D-03-1.128294343D-05
6.410291740D-09-1.466806373D-12 1.978348318D+04 1.016334813D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11300.979
-9.740629140D+04-5.111560940D+02 7.378493870D+00-1.508777884D-04 3.329914980D-08
-3.817514290D-12 1.769558455D-16 2.211006635D+04-1.454105040D+01
Li2 Chase,1998 p1505.
2 j12/83 LI 2.00 0.00 0.00 0.00 0.00 0 13.8820000 215900.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9675.116
6.778481580D+03-2.246205832D+02 5.296037440D+00-1.272412017D-03 1.205843729D-06
-9.818544590D-11-2.416702607D-13 2.573638186D+04-6.869257580D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9675.116
3.767645400D+07-1.185747185D+05 1.482167789D+02-8.378532110D-02 2.424919798D-05
-3.275820240D-09 1.652000081D-13 7.723072010D+05-1.021697298D+03
Li2+ Gurvich,1982 pt1 p249 pt2 p292.
2 tpis82 LI 2.00E -1.00 0.00 0.00 0.00 0 13.8814514 721611.420
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9989.120
-1.040056453D+04 2.675405642D+01 4.247271750D+00 1.057450777D-03-1.281715096D-06
1.067477239D-09-2.759413508D-13 8.529811310D+04 5.298189960D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9989.120
1.279931073D+07-3.492861390D+04 3.844785360D+01-1.380635397D-02 2.531394250D-06
-2.197815991D-10 7.087669250D-15 3.117964450D+05-2.509543641D+02
Li2Br2 Gurvich,1982 pt1 p286 pt2 p319.
2 tpis82 LI 2.00BR 2.00 0.00 0.00 0.00 0 173.6900000 -495833.524
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16950.476
2.786312863D+04-1.005641437D+03 1.370963066D+01-7.633663300D-03 8.942905920D-06
-5.561135090D-09 1.421736784D-12 -5.762845840D+04-4.121843760D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16950.476
-8.900983360D+04-1.988916335D+01 1.001596418D+01-6.749134050D-06 1.556299963D-09
-1.844693069D-13 8.774879920D-18 -6.279989960D+04-1.943063525D+01
Li2CL2 Gurvich,1982 pt1 p282 pt2 p315.
2 tpis82 LI 2.00CL 2.00 0.00 0.00 0.00 0 84.7880000 -597538.789
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15906.322
5.313398610D+04-1.427266759D+03 1.512410161D+01-1.032824906D-02 1.190773317D-05
-7.312991160D-09 1.851289430D-12 -6.769860400D+04-5.285131549D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15906.322
-1.179571272D+05-3.027126342D+01 1.002397711D+01-1.003660907D-05 2.297007564D-09
-2.706930258D-13 1.281817017D-17 -7.506822590D+04-2.264970230D+01
Li2F2 Gurvich,1982 pt1 p276 pt2 p311.
2 tpis82 LI 2.00F 2.00 0.00 0.00 0.00 0 51.8788064 -935323.076
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13766.030
1.443166185D+05-2.466874678D+03 1.702863290D+01-1.145541210D-02 1.086098792D-05
-5.569754280D-09 1.193819664D-12 -1.026070133D+05-7.000386610D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13766.030
-2.188931683D+05-9.259814530D+01 1.006970757D+01-2.803632163D-05 6.217549520D-09
-7.146267020D-13 3.316857300D-17 -1.156611527D+05-2.729853181D+01
Li2I2 Gurvich,1982 pt1 p290 pt2 p323.
2 tpis82 LI 2.00I 2.00 0.00 0.00 0.00 0 267.6909400 -362801.349
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17658.652
1.014872266D+04-7.120421010D+02 1.270392960D+01-5.685536810D-03 6.770340380D-06
-4.263304890D-09 1.100658186D-12 -4.313063860D+04-3.303950980D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17658.652
-6.973587060D+04-1.316825508D+01 1.001074855D+01-4.600203780D-06 1.070510527D-09
-1.277717768D-13 6.110612240D-18 -4.677470050D+04-1.721894034D+01
Li2O Gurvich,1982 pt1 p259 pt2 p296.
2 tpis82 LI 2.00O 1.00 0.00 0.00 0.00 0 29.8814000 -167338.920
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12792.080
2.636601597D+04-1.798629279D+02 4.051115220D+00 1.189981375D-02-1.730095793D-05
1.205584550D-08-3.292733880D-12 -2.061907963D+04 1.605995610D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12792.080
7.261487040D+05-9.543783720D+03 2.887491643D+01-1.959494099D-02 8.086339840D-06
-1.370211764D-09 8.111727190D-14 2.990726399D+04-1.564517822D+02
Li2O+ Gurvich,1982 pt1 p260 pt2 p297.
2 tpis82 LI 2.00O 1.00E -1.00 0.00 0.00 0 29.8808514 439095.089
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13028.689
1.081044623D+05-1.261961355D+03 9.692011290D+00-1.793477428D-03 3.380326900D-07
4.143395150D-10-1.990530222D-13 5.754976040D+04-2.915719946D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13028.689
-1.302166086D+05-1.466759528D+02 7.610729450D+00-4.469426690D-05 9.947160640D-09
-1.147038806D-12 5.339241470D-17 5.098762310D+04-1.528011047D+01
Li2O2 Gurvich,1982 pt1 p262 pt2 p299.
2 tpis82 LI 2.00O 2.00 0.00 0.00 0.00 0 45.8808000 -279397.988
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13548.012
1.392619730D+05-1.764036747D+03 1.029649198D+01 7.605949950D-03-1.538519312D-05
1.238199941D-08-3.685431570D-12 -2.638056746D+04-3.437710560D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13548.012
-2.939232153D+05-2.359107937D+02 1.017463402D+01-6.931624360D-05 1.521202834D-08
-1.733841909D-12 7.993154620D-17 -3.618481910D+04-2.904221044D+01
Li2O2H2 Gurvich,1996b.
2 g12/96 LI 2.00O 2.00H 2.00 0.00 0.00 0 47.8966800 -737000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15579.040
1.894413579D+05-2.779117524D+03 1.530234911D+01 1.070738317D-02-2.510075145D-05
2.224910575D-08-6.949359580D-12 -7.702776920D+04-6.514116940D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15579.040
1.215377492D+06-3.982057440D+03 1.585877373D+01 7.509145680D-04-2.585218184D-07
3.646841700D-11-1.904139406D-15 -6.738748380D+04-6.647208400D+01
Li2SO4 Chase,1998 p1522.
2 j12/78 LI 2.00S 1.00O 4.00 0.00 0.00 0 109.9446000 -1041816.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19652.538
1.006318702D+05-1.543457217D+03 9.670054910D+00 3.390757380D-02-4.823483810D-05
3.267368920D-08-8.702518510D-12 -1.201939538D+05-2.911716635D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19652.538
-6.038750870D+05-1.064550976D+03 1.979557349D+01-3.188978250D-04 7.062411120D-08
-8.114439070D-12 3.766830210D-16 -1.268908595D+05-8.014316674D+01
Li3+ Gurvich,1982 pt1 p251 pt2 p293.
2 tpis82 LI 3.00E -1.00 0.00 0.00 0.00 0 20.8224514 756590.836
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13289.409
-6.873222290D+03-2.820780467D+02 7.922697480D+00-1.687949474D-03 1.771718993D-06
-9.972535400D-10 2.332934849D-13 9.027963650D+04-1.619319856D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13289.409
-4.355098060D+04-6.056432750D+00 7.004722890D+00-1.953320933D-06 4.429152230D-10
-5.181983190D-14 2.439894871D-18 8.879902870D+04-1.066880792D+01
Li3Br3 Gurvich,1982 pt1 p287 pt2 p320.
2 tpis82 LI 3.00BR 3.00 0.00 0.00 0.00 0 260.5350000 -824639.193
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26036.807
6.431966250D+04-1.823743601D+03 2.243492856D+01-1.279418260D-02 1.459200355D-05
-8.884688150D-09 2.233708050D-12 -9.480677670D+04-8.206864420D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26036.807
-1.584670201D+05-4.041360940D+01 1.603177633D+01-1.322713911D-05 3.014221791D-09
-3.540292160D-13 1.672030783D-17 -1.042470448D+05-4.405478160D+01
Li3CL3 Gurvich,1982 pt1 p283 pt2 p316.
2 tpis82 LI 3.00CL 3.00 0.00 0.00 0.00 0 127.1820000 -976107.121
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24560.546
9.867429000D+04-2.324074851D+03 2.378484564D+01-1.483522400D-02 1.634495612D-05
-9.675366520D-09 2.377033859D-12 -1.103839177D+05-9.474114379D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24560.546
-2.005930356D+05-5.939400190D+01 1.604590929D+01-1.885890854D-05 4.253517370D-09
-4.955560940D-13 2.325408214D-17 -1.224927071D+05-4.844413629D+01
Li3F3 Gurvich,1982 pt1 p278 pt2 p312.
2 tpis82 LI 3.00F 3.00 0.00 0.00 0.00 0 77.8182096 -1524596.926
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20536.734
1.823874443D+05-3.163786240D+03 2.287811928D+01-7.544903890D-03 3.446790230D-06
2.690705228D-10-5.250840960D-13 -1.712446093D+05-9.973654990D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20536.734
-3.618664990D+05-1.937051395D+02 1.614457133D+01-5.775628500D-05 1.274057038D-08
-1.458168875D-12 6.744850030D-17 -1.882081974D+05-5.633612880D+01
Li3I3 Gurvich,1982 pt1 p290 pt2 p324.
2 tpis82 LI 3.00I 3.00 0.00 0.00 0.00 0 401.5364100 -612457.307
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27232.694
3.611764690D+04-1.392033487D+03 2.110791892D+01-1.046866587D-02 1.222589173D-05
-7.584135430D-09 1.935199180D-12 -7.153084580D+04-7.093882030D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27232.694
-1.266696511D+05-2.783891914D+01 1.602228068D+01-9.399364930D-06 2.163919735D-09
-2.561731922D-13 1.217394107D-17 -7.869550680D+04-4.091724060D+01
Mg Hf:Cox,1989. Kaufman,1991a. Gordon,1999.
3 g 6/97 MG 1.00 0.00 0.00 0.00 0.00 0 24.3050000 147100.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.694658761D+04 3.634330140D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-5.364831550D+05 1.973709576D+03-3.633776900D-01 2.071795561D-03-7.738051720D-07
1.359277788D-10-7.766898397D-15 4.829188110D+03 2.339104998D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
2.166012586D+09-1.008355665D+06 1.619680021D+02-8.790130350D-03-1.925690961D-08
1.725045214D-11-4.234946112D-16 8.349525900D+06-1.469355261D+03
Mg+ Kaufman,1991a. Gordon,1999.
3 g 6/97 MG 1.00E -1.00 0.00 0.00 0.00 0 24.3044514 891047.000
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.064223354D+05 4.327443460D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-1.914758821D+04 4.877347920D+01 2.457662661D+00 1.218104674D-05 1.897261686D-09
-1.580433756D-12 2.135732238D-16 1.061022394D+05 4.646442860D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
4.015949550D+08-2.281591735D+05 5.421745710D+01-5.983017190D-03 3.657189130D-07
-1.020737688D-11 1.024202854D-16 1.932463961D+06-4.480157830D+02
MgBr Gurvich,1996a pt1 p417 pt2 p331.
2 tpis96 MG 1.00BR 1.00 0.00 0.00 0.00 0 104.2090000 6163.315
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9588.115
7.361419140D+03-2.395789881D+02 5.360560420D+00-1.667141829D-03 1.981137765D-06
-1.201637202D-09 3.032148099D-13 5.915634440D+02-1.421771179D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9588.115
2.477604216D+04-6.417687520D+02 6.019932090D+00-1.391004302D-03 6.443330960D-07
-1.197734078D-10 7.421644240D-15 2.824060334D+03-6.264439920D+00
MgBr2 Gurvich,1996a pt1 p420 pt2 p333.
2 tpis96 MG 1.00BR 2.00 0.00 0.00 0.00 0 184.1130000 -306743.219
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14757.281
2.148477999D+04-5.154528900D+02 9.273258750D+00-3.470049040D-03 3.921840790D-06
-2.377174864D-09 5.967025560D-13 -3.652443850D+04-1.791077763D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14757.281
-4.326899010D+04-1.283036001D+01 7.510024300D+00-4.152332400D-06 9.426499180D-10
-1.103873928D-13 5.201104310D-18 -3.919886020D+04-7.409168030D+00
MgCL Gurvich,1996a pt1 p412 pt2 p328.
2 tpis96 MG 1.00CL 1.00 0.00 0.00 0.00 0 59.7580000 -54704.887
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9363.113
2.043995280D+04-4.072155160D+02 5.880372300D+00-2.594175042D-03 2.945953528D-06
-1.750648628D-09 4.337959330D-13 -5.851444950D+03-6.023545750D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9363.113
1.041328453D+06-3.380158330D+03 8.637775470D+00-2.447789643D-03 7.841969440D-07
-1.126409380D-10 5.810620730D-15 1.327188977D+04-2.703802395D+01
MgCL+ Chase,1998 p786 6/68.
3 g 1/01 MG 1.00CL 1.00E -1.00 0.00 0.00 0 59.7574514 646339.332
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9515.732
8.182385120D+03-2.622253760D+02 5.419863430D+00-1.774129606D-03 2.185811127D-06
-1.418143432D-09 3.918898580D-13 7.770403710D+04-3.780938840D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9515.732
-1.268391921D+07 3.478824540D+04-3.004222950D+01 1.481739497D-02-2.470965605D-06
1.424433718D-10 2.789613105D-16 -1.487013740D+05 2.552015117D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9515.732
1.382463416D+08-6.324735630D+04 2.090164490D+01-1.924320270D-03 1.303442285D-07
-4.354246510D-12 5.852012920D-17 5.856144100D+05-1.379609224D+02
MgCL2 Gurvich,1996a pt1 p416 pt2 p330.
2 tpis96 MG 1.00CL 2.00 0.00 0.00 0.00 0 95.2110000 -399169.896
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13900.604
3.637824680D+04-7.307844960D+02 9.661030510D+00-3.660212940D-03 3.610819350D-06
-1.928769286D-09 4.309912350D-13 -4.646914570D+04-2.360112274D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13900.604
-6.835217010D+04-2.490899393D+01 7.518783200D+00-7.564518260D-06 1.679293770D-09
-1.931706275D-13 8.971657820D-18 -5.032686910D+04-1.053268382D+01
MgF Gurvich,1996a pt1 p408 pt2 p325.
2 tpis96 MG 1.00F 1.00 0.00 0.00 0.00 0 43.3034032 -232266.792
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8969.108
3.823001620D+04-4.803310390D+02 5.068468940D+00 5.212029300D-04-1.874026347D-06
1.759241129D-09-5.609403190D-13 -2.659114296D+04-3.768969210D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8969.108
-1.695883782D+05 3.588757630D+02 3.936001650D+00 4.813044140D-04-1.658385409D-07
3.336052290D-11-2.270104205D-15 -3.169323990D+04 4.410565900D+00
MgF+ Chase,1998 p1071 12/75.
3 g 2/01 MG 1.00F 1.00E -1.00 0.00 0.00 0 43.3028546 516867.775
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8969.375
6.413293840D+05-8.518532610D+03 4.814216910D+01-1.163071535D-01 1.622560562D-04
-1.063484590D-07 2.634809398D-11 1.024308480D+05-2.450074295D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8969.375
-1.056852362D+07 2.077122379D+04-6.119523560D+00 2.245834831D-03-9.515738610D-08
-2.263502341D-11 2.284524246D-15 -8.331549880D+04 8.727102380D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8969.375
5.735804460D+07-2.157378345D+04 6.572317550D+00 1.887605214D-04-1.860864600D-08
6.862191460D-13-8.597821080D-18 2.477615733D+05-1.922750114D+01
MgF2 Gurvich,1996a pt1 p411 pt2 p327.
2 tpis96 MG 1.00F 2.00 0.00 0.00 0.00 0 62.3018064 -735498.060
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12622.440
4.338429550D+04-6.616511770D+02 7.453448520D+00 3.520814050D-03-6.955764580D-06
5.619923480D-09-1.688028906D-12 -8.687183670D+04-1.545476790D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12622.440
-1.244419584D+05-8.687343750D+01 7.563581230D+00-2.499267978D-05 5.440129140D-09
-6.158245760D-13 2.822792666D-17 -9.060019440D+04-1.420796990D+01
MgF2+ Chase,1998 p1122 12/75.
3 g 2/01 MG 1.00F 2.00E -1.00 0.00 0.00 0 62.3012578 582692.164
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12415.064
7.832220260D+04-1.176632752D+03 1.025829767D+01-3.755272890D-03 3.016621585D-06
-1.327098871D-09 2.465289749D-13 7.413228550D+04-2.990883551D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12415.064
-1.502316870D+05 7.725289560D+01 7.271569360D+00 2.237529770D-04-1.003070865D-07
1.996274309D-11-1.233278721D-15 6.699117500D+04-1.094528006D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12415.064
2.601903911D+07-5.388879260D+03 5.218198280D+00 7.632535320D-04-6.606231900D-08
2.428649361D-12-3.341900910D-17 1.228640353D+05 3.390783040D+00
MgH Gurvich,1996a pt1 p401 pt2 p320.
2 tpis96 MG 1.00H 1.00 0.00 0.00 0.00 0 25.3129400 229786.104
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8682.104
-4.958679150D+04 7.500278650D+02-6.442047500D-01 9.826301010D-03-8.789822440D-06
3.823353520D-09-6.003725760D-13 2.302279383D+04 2.657165344D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8682.104
-1.005748598D+05 1.952890106D+03-1.317191549D+00 5.603665800D-03-2.137334980D-06
3.324880500D-10-1.824672746D-14 1.598582755D+04 3.431233160D+01
MgI Gurvich,1996a pt1 p420 pt2 p334.
2 tpis96 MG 1.00I 1.00 0.00 0.00 0.00 0 151.2094700 61206.317
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9741.117
2.943889099D+03-1.690248574D+02 5.147251830D+00-1.321186997D-03 1.623056505D-06
-1.005114222D-09 2.567337785D-13 6.845890270D+03 8.593132250D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9741.117
-2.370562811D+06 6.916452480D+03-3.183894490D+00 4.051551140D-03-9.774290750D-07
1.023329400D-10-3.790304870D-15 -3.818551110D+04 5.993104380D+01
MgI2 Gurvich,1996a pt1 p423 pt2 p336.
2 tpis96 MG 1.00I 2.00 0.00 0.00 0.00 0 278.1139400 -171706.029
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15294.471
1.594739709D+04-4.160412720D+02 9.010638320D+00-3.090359024D-03 3.621264260D-06
-2.260138392D-09 5.809055550D-13 -2.080441400D+04-1.412175736D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15294.471
-3.340299180D+04-9.343511780D+00 7.507468540D+00-3.147707890D-06 7.241336470D-10
-8.567664950D-14 4.069691700D-18 -2.294555505D+04-5.241272590D+00
MgN Chase,1998 p1535.
2 j 3/64 MG 1.00N 1.00 0.00 0.00 0.00 0 38.3117000 288696.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8988.881
3.759538640D+04-4.853164280D+02 5.163054240D+00 2.591539493D-04-1.518993975D-06
1.522840476D-09-4.992531450D-13 3.607294610D+04-3.813908776D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8988.881
-6.018589100D+04-4.010864780D+01 4.529498950D+00 4.760490910D-05 2.547271298D-09
-2.894058118D-13 1.330639131D-17 3.341285700D+04 7.925250209D-01
MgO Gurvich,1996a pt1 p398 pt2 p318.
3 tpis96 MG 1.00O 1.00 0.00 0.00 0.00 0 40.3044000 32261.307
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8909.107
3.513659740D+05-5.287197160D+03 3.382060060D+01-8.400489630D-02 1.210016160D-04
-7.630795020D-08 1.701022862D-11 2.790679519D+04-1.624886199D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8909.107
-1.586738367D+07 3.420468100D+04-1.774087677D+01 7.004963050D-03-1.104138249D-06
8.957488530D-11-3.052513649D-15 -2.300504434D+05 1.738984472D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8909.107
2.290059050D+06-2.073499632D+04 1.444150005D+01-1.490609900D-03 1.052119343D-07
-3.523030610D-12 4.613111760D-17 1.490218815D+05-8.007281730D+01
MgOH Gurvich,1996a pt1 p404 pt2 p322.
2 tpis96 MG 1.00O 1.00H 1.00 0.00 0.00 0 41.3123400 -132428.980
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11124.284
3.839851620D+04-7.367383640D+02 7.920664460D+00-5.950940590D-04-2.112941162D-06
3.228282110D-09-1.214159329D-12 -1.392326188D+04-1.916078109D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11124.284
6.648664750D+05-1.770750355D+03 7.269999270D+00 5.336842760D-04-1.980894443D-07
3.025677088D-11-1.554849476D-15 -6.149114560D+03-1.671027009D+01
MgOH+ Chase,1998 p1285 12/75.
3 g 1/01 MG 1.00O 1.00H 1.00E -1.00 0.00 0 41.3117914 615769.370
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10188.370
1.170224573D+05-1.735933343D+03 1.164059613D+01-8.449876220D-03 7.351713740D-06
-2.790223071D-09 3.514982130D-13 8.118807670D+04-4.271174370D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10188.370
8.296339540D+05-2.459700177D+03 8.118732020D+00 3.500579100D-05-4.670574750D-08
8.312358260D-12-4.802836220D-16 8.801661710D+04-2.438155217D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10188.370
-6.691779770D+06 2.437864449D+03 6.949387850D+00 6.355744850D-05-3.980850170D-09
1.287525303D-13-1.684735436D-18 4.948972630D+04-1.400323314D+01
Mg(OH)2 Gurvich,1996a pt1 p407 pt2 p324.
2 tpis96 MG 1.00O 2.00H 2.00 0.00 0.00 0 58.3196800 -551995.808
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17131.558
5.245894670D+04-1.289056383D+03 1.389327642D+01-7.806693670D-04-4.151257230D-06
6.109473040D-09-2.274138833D-12 -6.295089150D+04-5.015353340D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17131.558
1.713709254D+06-4.730005350D+03 1.448925967D+01 1.907819857D-04-1.226834131D-07
2.015343753D-11-1.128993279D-15 -3.887724670D+04-5.840498120D+01
MgS Gurvich,1996a pt1 p425 pt2 p338.
2 tpis96 MG 1.00S 1.00 0.00 0.00 0.00 0 56.3700000 120649.311
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9234.111
-9.565788090D+03 1.443637798D+02 1.813794717D+00 1.147168775D-02-2.220170412D-05
1.995344981D-08-6.090688740D-12 1.276501517D+04 1.461333093D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9234.111
2.650794328D+07-7.711355860D+04 8.463771680D+01-3.644250680D-02 8.403084420D-06
-9.539882170D-10 4.264658030D-14 5.078931170D+05-5.834656096D+02
Mg2 Gurvich,1996a pt1 p393 pt2 p316.
2 tpis96 MG 2.00 0.00 0.00 0.00 0.00 0 48.6100000 286513.315
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9542.115
4.545195590D+03 4.115850040D+02 4.841196170D-01 4.891969650D-03-6.395536840D-06
4.299764550D-09-1.164624418D-12 3.181641790D+04 2.640432143D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9542.115
3.038224994D+04 5.945240460D+01 2.352706666D+00 1.378537924D-04-5.895692040D-08
1.104045317D-11-6.558868290D-16 3.351036560D+04 1.588177377D+01
Mg2F4 Chase,1998 p1178.
2 j12/75 MG 2.00F 4.00 0.00 0.00 0.00 0 124.6036128 -1718369.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21143.314
1.511956137D+05-3.122595912D+03 2.517715088D+01-1.558723757D-02 1.552195619D-05
-8.408729050D-09 1.911618525D-12 -1.953078883D+05-1.085103537D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21143.314
-2.980610166D+05-1.201299868D+02 1.609110864D+01-3.687456290D-05 8.220317050D-09
-9.488869780D-13 4.419795330D-17 -2.117349690D+05-5.308655470D+01
Mn Hf:Desai,1987. Sugar,1985. Gordon,1999.
3 g 7/97 MN 1.00 0.00 0.00 0.00 0.00 0 54.9380490 282400.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.034061359D-01-1.551537349D-03 2.500009148D+00-2.723162066D-08 4.333897430D-11
-3.511093890D-14 1.136032201D-17 3.321935190D+04 6.649325463D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
5.855155820D+03 8.838588440D+02-3.648662580D-02 2.703720687D-03-1.324971998D-06
2.872603290D-10-1.923633570D-14 2.867803487D+04 2.292541198D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
3.936189040D+09-2.353549748D+06 5.377244800D+02-5.824812570D-02 3.330475100D-06
-9.689631050D-11 1.133286034D-15 1.879530161D+07-4.690097890D+03
Mn+ Sugar,1985. Gordon,1999.
3 g 6/97 MN 1.00E -1.00 0.00 0.00 0.00 0 54.9375004 1005871.328
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
3.458017700D+02-4.251151330D+00 2.521281028D+00-5.565087280D-05 8.037162210D-08
-6.093550970D-11 1.900014268D-14 1.202533602D+05 6.683468162D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
6.471314100D+05-2.403796253D+03 5.937715750D+00-2.341014594D-03 7.464165640D-07
-9.075969730D-11 4.467879847D-15 1.349902108D+05-1.702666341D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.717119921D+09-9.029185830D+05 1.784788847D+02-1.566770206D-02 7.346534410D-07
-1.750673350D-11 1.667889239D-16 7.443546080D+06-1.568005804D+03
Mo Hf:Desai,1987. Sugar,1988. Gordon,1999.
3 g 7/97 MO 1.00 0.00 0.00 0.00 0.00 0 95.9400000 658500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
7.646367910D+01-1.159269043D+00 2.506929462D+00-2.099249725D-05 3.414779430D-08
-2.841269591D-11 9.492443321D-15 7.845899800D+04 7.601835660D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
5.573271000D+06-1.662365811D+04 2.135147077D+01-1.003069377D-02 2.409784357D-06
-1.811267352D-10 1.034189087D-15 1.842646473D+05-1.275326434D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
6.205038910D+09-3.855961600D+06 9.371595060D+02-1.108164544D-01 6.929123900D-06
-2.199865715D-10 2.798315513D-15 3.062163602D+07-8.122811340D+03
Mo+ Sugar,1988. Gordon,1999.
3 g 7/97 MO 1.00E -1.00 0.00 0.00 0.00 0 95.9394514 1349012.928
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.298236623D+02-1.560279908D+00 2.507600281D+00-1.923789063D-05 2.673316651D-08
-1.937174292D-11 5.729735412D-15 1.615103759D+05 7.442543460D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.298891120D+07-3.948276230D+04 4.866599780D+01-2.605352326D-02 7.215431920D-06
-8.719164960D-10 3.788423040D-14 4.118948570D+05-3.216791030D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-1.731253943D+09 8.776685240D+05-1.669716753D+02 1.732439603D-02-9.372726850D-07
2.593422324D-11-2.913787941D-16 -6.989098130D+06 1.517101780D+03
Mo- Hotop,1985. Gordon,1999.
3 g10/97 MO 1.00E 1.00 0.00 0.00 0.00 0 95.9405486 580324.628
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 6.905123690D+04 7.485659540D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 6.905123690D+04 7.485659540D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 6.905123690D+04 7.485659540D+00
MoO Gurvich,1982 pt1 p25 pt2 p30.
3 tpis89 MO 1.00O 1.00 0.00 0.00 0.00 0 111.9394000 358005.323
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10253.123
-2.801152706D+04 5.139883480D+02 1.075385931D+00 8.681048470D-03-1.111118984D-05
7.234349330D-09-1.893138381D-12 3.941374080D+04 2.272230239D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10253.123
1.573131992D+06-5.241483580D+03 1.102656868D+01-3.902996620D-03 1.147334134D-06
-1.358975691D-10 5.775268580D-15 7.448972000D+04-4.253612930D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10253.123
2.846838911D+08-1.710122789D+05 4.036556200D+01-2.750495204D-03 8.916821240D-08
-1.248340135D-12 3.675821910D-18 1.408558917D+06-3.171602770D+02
MoO2 Gurvich,1982 pt1 p28 pt2 p33.
2 tpis82 MO 1.00O 2.00 0.00 0.00 0.00 0 127.9388000 -15558.079
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10707.025
3.247183220D+04-1.904783783D+02 2.120771647D+00 1.650280086D-02-2.381696822D-05
1.652371586D-08-4.494452430D-12 -1.862932837D+03 1.640582056D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10707.025
3.096143654D+05-1.932750274D+03 9.428673180D+00-1.630508855D-03 5.752760170D-07
-7.590457470D-11 3.461337780D-15 7.327725180D+03-2.533315948D+01
MoO3 Gurvich,1982 pt1 p31 pt2 p35.
2 tpis82 MO 1.00O 3.00 0.00 0.00 0.00 0 143.9382000 -364412.371
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13192.785
5.977385360D+04-7.684557830D+02 5.881844440D+00 1.686119817D-02-2.582485043D-05
1.850382718D-08-5.152249850D-12 -4.155872390D+04-6.529162160D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13192.785
-4.097597270D+05 2.379066513D+02 9.311100800D+00 6.579338910D-04-2.895307725D-07
5.692637260D-11-3.489657310D-15 -4.923738720D+04-2.114864892D+01
MoO3- Gurvich,1982 pt1 p32 pt2 p36.
2 tpis82 MO 1.00O 3.00E 1.00 0.00 0.00 0 143.9387486 -655242.501
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13560.083
1.821617352D+05-2.224656970D+03 1.320405967D+01-1.249800352D-03-1.864166983D-06
2.276579470D-09-7.366564570D-13 -6.938986000D+04-4.699377210D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13560.083
-4.881098720D+05 1.848536991D+01 1.042644941D+01-6.265557910D-04 3.020554347D-07
-4.733195890D-11 2.527517727D-15 -8.337815500D+04-2.701522825D+01
Mo2O6 Gurvich,1982 pt1 p33 pt2 p37.
2 tpis82 MO 2.00O 6.00 0.00 0.00 0.00 0 287.8764000 -1149446.813
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25763.499
1.568375811D+05-2.159930184D+03 1.522500503D+01 3.194198900D-02-5.063877150D-05
3.689371820D-08-1.037872908D-11 -1.309931161D+05-5.408918500D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25763.499
-6.312238160D+05-6.642827550D+02 2.249383570D+01-1.968470329D-04 4.336740610D-08
-4.959777990D-12 2.293212733D-16 -1.430573250D+05-8.669628540D+01
Mo3O9 Gurvich,1982 pt1 p34 pt2 p38.
2 tpis82 MO 3.00O 9.00 0.00 0.00 0.00 0 431.8146000 -1902031.349
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 40784.119
1.483386187D+05-1.863895133D+03 1.738405871D+01 6.233012320D-02-9.328441350D-05
6.613638790D-08-1.830607518D-11 -2.248945631D+05-5.826669470D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 40784.119
-9.230290540D+05-1.076171759D+03 3.480007260D+01-3.189633800D-04 7.028397040D-08
-8.039642640D-12 3.717879530D-16 -2.357422166D+05-1.448769485D+02
Mo4O12 Gurvich,1982 pt1 p36 pt2 p39.
2 tpis82 MO 4.00O 12.00 0.00 0.00 0.00 0 575.7528000 -2625526.773
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 54893.850
2.234876437D+05-2.996203728D+03 2.682458827D+01 7.597345720D-02-1.155247012D-04
8.256472570D-08-2.296764551D-11 -3.084619476D+05-1.065236386D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 54893.850
-1.225283388D+06-1.368141197D+03 4.701687810D+01-4.052910200D-04 8.928472390D-08
-1.021091158D-11 4.721091690D-16 -3.256477770D+05-2.047486535D+02
Mo5O15 Gurvich,1982 pt1 p38 pt2 p40.
2 tpis82 MO 5.00O 15.00 0.00 0.00 0.00 0 719.6910000 -3329108.437
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 68917.342
2.768903251D+05-3.757933100D+03 3.408197760D+01 9.485414960D-02-1.442672100D-04
1.031163900D-07-2.868600013D-11 -3.913507030D+05-1.426449143D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 68917.342
-1.535389516D+06-1.710367122D+03 5.927125780D+01-5.066836290D-04 1.116223706D-07
-1.276562233D-11 5.902318910D-16 -4.128972380D+05-2.651287167D+02
N Hf:Cox,1989. Moore,1975. Gordon,1999.
3 g 5/97 N 1.00 0.00 0.00 0.00 0.00 0 14.0067000 472680.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 5.610463780D+04 4.193905036D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
8.876501380D+04-1.071231500D+02 2.362188287D+00 2.916720081D-04-1.729515100D-07
4.012657880D-11-2.677227571D-15 5.697351330D+04 4.865231506D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
5.475181050D+08-3.107574980D+05 6.916782740D+01-6.847988130D-03 3.827572400D-07
-1.098367709D-11 1.277986024D-16 2.550585618D+06-5.848769753D+02
N+ Moore,1975. Gordon,1999.
3 g 6/97 N 1.00E -1.00 0.00 0.00 0.00 0 14.0061514 1882127.624
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7116.524
5.237079210D+03 2.299958315D+00 2.487488821D+00 2.737490756D-05-3.134447576D-08
1.850111332D-11-4.447350984D-15 2.256284738D+05 5.076830786D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7116.524
2.904970374D+05-8.557908610D+02 3.477389290D+00-5.288267190D-04 1.352350307D-07
-1.389834122D-11 5.046166279D-16 2.310809984D+05-1.994146545D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7116.524
1.646092148D+07-1.113165218D+04 4.976986640D+00-2.005393583D-04 1.022481356D-08
-2.691430863D-13 3.539931593D-18 3.136284696D+05-1.706646380D+01
N- Hotop,1985. Chase,1998 p1602. Gordon,1999.
3 j12/82 N 1.00E 1.00 0.00 0.00 0.00 0 14.0072486 473537.545
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6498.345
1.445682471D+03 7.335205110D+00 2.476680939D+00 4.227869180D-05-4.426293320D-08
2.490985431D-11-5.831608090D-15 5.617625000D+04 5.145753977D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6498.345
2.404189576D+03 2.954965336D-01 2.499789368D+00 8.307564970D-08-1.829942770D-11
2.100136461D-15-9.754986710D-20 5.621413890D+04 5.006484157D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6498.345
1.884379470D+03 3.905516910D-01 2.499914043D+00 9.818512540D-09-6.126037340D-13
1.980010689D-17-2.593295116D-22 5.621304520D+04 5.005647607D+00
NCO Hf:East,1993. Jacox,1998 p184.
2 g 6/01 N 1.00C 1.00O 1.00 0.00 0.00 0 42.0168000 131847.241
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10198.245
1.136503036D+04-2.444613367D+02 4.671376100D+00 2.309387548D-03 2.798649599D-06
-4.546357380D-09 1.692880931D-12 1.577649188D+04-2.171476903D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10198.245
1.089445289D+05-1.735459316D+03 8.655610330D+00-4.053229260D-04 7.599716410D-08
-7.253804150D-12 3.244872410D-16 2.365792776D+04-2.619532970D+01
ND Hf:est. from NH,H&D data. Chase,1998 p1037 6/77.
2 g 4/01 N 1.00D 1.00 0.00 0.00 0.00 0 16.0208020 355738.797
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8648.000
2.290155757D+04-3.957388510D+02 6.179010330D+00-8.847806970D-03 1.441582970D-05
-1.006647227D-08 2.654403586D-12 4.355913430D+04-1.180414072D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8648.000
5.439657960D+05-2.084583507D+03 5.834089720D+00-4.189393360D-04 9.768929530D-08
-1.056317654D-11 4.683079210D-16 5.466633410D+04-1.480810939D+01
ND2 Hf:est. from NH2,H,&D data. Jacox,1998 p133.
2 g 4/01 N 1.00D 2.00 0.00 0.00 0.00 0 18.0349040 184836.570
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9962.325
1.935222164D+04-2.130631713D+02 4.844017600D+00-2.516949288D-03 7.616381540D-06
-5.464501770D-09 1.292736999D-12 2.211998374D+04-3.171712417D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9962.325
1.631308357D+06-6.564637490D+03 1.280547961D+01-3.094456779D-03 9.181660230D-07
-1.241119284D-10 6.226299860D-15 6.108929580D+04-6.124502693D+01
ND3 Hf:est. from NH3,H,&D data. Chase,1998 p1047 6/77.
2 g 4/01 N 1.00D 3.00 0.00 0.00 0.00 0 20.0490060 -54752.106
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10234.000
1.045120370D+04 1.610166943D+02 8.574963230D-01 1.319688794D-02-1.153090144D-05
7.142495560D-09-2.109194351D-12 -8.220948900D+03 1.675921299D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10234.000
2.599516958D+06-1.013420124D+04 1.798028169D+01-3.582609800D-03 1.009922000D-06
-1.537638609D-10 9.106175650D-15 5.397205660D+04-9.810988569D+01
NF Gurvich,1989 pt1 p372 pt2 p234. Gurvich,1978 pt2 p243.
2 tpis89 N 1.00F 1.00 0.00 0.00 0.00 0 33.0051032 232990.500
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8738.105
-3.504927750D+04 6.674502990D+02-1.201665982D+00 1.452074253D-02-1.822873148D-05
1.160136864D-08-2.973416333D-12 2.395414002D+04 3.089260431D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8738.105
8.002987330D+05-3.237696580D+03 8.703408870D+00-2.701025798D-03 9.150042110D-07
-1.365256630D-10 7.234624410D-15 4.642819450D+04-3.019933248D+01
NF2 Gurvich,1989 pt1 p373. McBride,1992 METHOD NRRAO1.
2 g 4/99 N 1.00F 2.00 0.00 0.00 0.00 0 52.0035064 34421.447
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10581.605
1.511831104D+04 9.196389940D+01 4.947301790D-01 2.001847323D-02-2.767712684D-05
1.872924867D-08-5.020318040D-12 2.839279606D+03 2.270515670D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10581.605
-1.945010078D+05-3.536034070D+02 7.263494360D+00-8.402380400D-05 2.326721111D-08
-2.667577562D-12 1.236070614D-16 3.435440590D+03-1.336102511D+01
NF3 Gurvich,1989 pt1 p375. McBride,1992 METHOD NRRAO2.
2 g 4/99 N 1.00F 3.00 0.00 0.00 0.00 0 71.0019096 -131700.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11854.511
8.757149280D+04-9.031832890D+02 4.027417270D+00 2.314439555D-02-3.415106470D-05
2.409483651D-08-6.633464190D-12 -1.237232074D+04 3.026430713D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11854.511
-3.496268760D+05-4.973728670D+02 1.036866128D+01 8.900687650D-05 5.882654360D-08
-3.157737664D-12 1.714329953D-16 -1.713183352D+04-3.098920858D+01
NH Hf:Anderson,1989. Gurvich,1978 pt2 p223.
3 g 4/99 N 1.00H 1.00 0.00 0.00 0.00 0 15.0146400 357032.001
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8601.103
1.359651320D+04-1.900296604D+02 4.518496790D+00-2.432776899D-03 2.377587464D-06
-2.592797084D-10-2.659680792D-13 4.280972190D+04-3.886561616D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8601.103
1.958141991D+06-5.782861300D+03 9.335742020D+00-2.292910311D-03 6.076092480D-07
-6.647942750D-11 2.384234783D-15 7.898912340D+04-4.116970400D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8601.103
9.524636790D+07-8.585826910D+04 2.980445181D+01-2.979563697D-03 1.656334158D-07
-4.744791840D-12 5.570148290D-17 6.961434270D+05-2.229027419D+02
NH+ Hf:Gibson,1985. Gurvich,1989 pt2 p216.
3 g 5/99 N 1.00H 1.00E -1.00 0.00 0.00 0 15.0140914 1665787.914
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9495.114
4.253656850D+03-2.458222206D+02 6.708919490D+00-1.038489430D-02 1.509008623D-05
-9.580512190D-09 2.333206758D-12 2.001077797D+05-1.395057632D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9495.114
1.405709438D+06-4.136215710D+03 7.632014480D+00-1.228325778D-03 2.721187746D-07
-2.010098289D-11 3.717190180D-17 2.258975960D+05-2.786785234D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9495.114
2.392941759D+08-1.741658624D+05 5.107907910D+01-5.567623700D-03 3.273391600D-07
-9.797978060D-12 1.186543279D-16 1.554705305D+06-4.065968960D+02
NHF Gurvich,1989 pt1 p386 pt2 p247.
2 tpis89 N 1.00H 1.00F 1.00 0.00 0.00 0 34.0130432 112000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10029.728
-5.110659820D+04 9.612256430D+02-2.706446594D+00 2.036562680D-02-2.425558952D-05
1.551553017D-08-4.058458260D-12 7.909628340D+03 4.099317124D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10029.728
9.013902720D+05-3.463397050D+03 8.705804860D+00-4.018963410D-04 2.322774501D-08
6.280487330D-12-6.283095690D-16 3.337065340D+04-2.900483634D+01
NHF2 Gurvich,1989 pt1 p388 pt2 p249.
2 tpis89 N 1.00H 1.00F 2.00 0.00 0.00 0 53.0114464 -103000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10807.439
-5.626113420D+04 1.205756556D+03-6.017529420D+00 3.760027690D-02-4.619198600D-05
2.942475570D-08-7.598732360D-12 -1.897014374D+04 5.901714907D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10807.439
7.394278990D+05-4.004471770D+03 1.221322320D+01-6.970437730D-04 1.271073981D-07
-1.247136898D-11 5.086517590D-16 9.134195980D+03-4.867843963D+01
NH2 Hf:Anderson,1989. Gurvich,1989 pt1 p349.Jacox,1998 p133.
2 g 3/01 N 1.00H 2.00 0.00 0.00 0.00 0 16.0225800 189134.713
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9937.867
-3.118240659D+04 4.754243390D+02 1.372395176D+00 6.306429720D-03-5.987893560D-06
4.492752340D-09-1.414073548D-12 1.928939662D+04 1.540126885D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9937.867
2.111053740D+06-6.880627230D+03 1.132305924D+01-1.829236741D-03 5.643890090D-07
-7.886452480D-11 4.078593450D-15 6.503778560D+04-5.359155744D+01
NH2F Gurvich,1989 pt1 p387 pt2 p248.
2 tpis89 N 1.00H 2.00F 1.00 0.00 0.00 0 35.0209832 -75000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10104.976
-1.092374760D+05 1.844919780D+03-7.673871600D+00 3.229533440D-02-3.388108670D-05
1.971871550D-08-4.810205150D-12 -1.878318960D+04 6.861483739D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10104.976
1.927205340D+06-7.500447160D+03 1.395589580D+01-1.184804420D-03 2.050678670D-07
-1.908761310D-11 7.389236210D-16 3.552927340D+04-6.731185491D+01
NH3 Gurvich,1989 pt1 p354 pt2 p219. Haar,1968.
2 tpis89 N 1.00H 3.00 0.00 0.00 0.00 0 17.0305200 -45940.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10043.121
-7.681226150D+04 1.270951578D+03-3.893229130D+00 2.145988418D-02-2.183766703D-05
1.317385706D-08-3.332322060D-12 -1.264886413D+04 4.366014588D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10043.121
2.452389535D+06-8.040894240D+03 1.271346201D+01-3.980186580D-04 3.552502750D-08
2.530923570D-12-3.322700530D-16 4.386191960D+04-6.462330602D+01
NH2OH Hydroxylamine. Gurvich,1989 pt1 p368 pt2 p232.
2 tpis89 N 1.00H 3.00O 1.00 0.00 0.00 0 33.0299200 -50000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11235.778
-5.617586670D+04 1.209290057D+03-6.179599060D+00 4.053116440D-02-5.190105540D-05
3.594544580D-08-9.933681640D-12 -1.265888352D+04 5.727932928D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11235.778
4.878285050D+06-1.533604636D+04 2.227239990D+01-2.514583678D-03 3.339589730D-07
-1.881744532D-11 1.918174365D-16 8.923020710D+04-1.269053624D+02
NH4+ Gurvich,1989 pt1 p355 pt2 p220.
2 tpis89 N 1.00H 4.00E -1.00 0.00 0.00 0 18.0379114 644904.945
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9978.772
-2.668315752D+05 3.763020690D+03-1.571327725D+01 4.548820210D-02-4.379962120D-05
2.464478293D-08-5.961532330D-12 5.823284720D+04 1.112087156D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9978.772
4.141889000D+06-1.442072042D+04 2.011893564D+01-1.971492619D-03 3.112721421D-07
-2.602979969D-11 8.894342130D-16 1.664196236D+05-1.201535761D+02
NO Gurvich,1978,1989 pt1 p326 pt2 p203.
3 tpis89 N 1.00O 1.00 0.00 0.00 0.00 0 30.0061000 91271.310
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9179.110
-1.143916503D+04 1.536467592D+02 3.431468730D+00-2.668592368D-03 8.481399120D-06
-7.685111050D-09 2.386797655D-12 9.098214410D+03 6.728725490D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9179.110
2.239018716D+05-1.289651623D+03 5.433936030D+00-3.656034900D-04 9.880966450D-08
-1.416076856D-11 9.380184620D-16 1.750317656D+04-8.501669090D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9179.110
-9.575303540D+08 5.912434480D+05-1.384566826D+02 1.694339403D-02-1.007351096D-06
2.912584076D-11-3.295109350D-16 -4.677501240D+06 1.242081216D+03
NO+ Cp,S,IP(NO): Gurvich,1989 pt1 p330 pt2 p205.
3 g 5/99 N 1.00O 1.00E -1.00 0.00 0.00 0 30.0055514 990809.704
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8670.104
1.398106635D+03-1.590446941D+02 5.122895400D+00-6.394388620D-03 1.123918342D-05
-7.988581260D-09 2.107383677D-12 1.187495132D+05-4.398433810D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8670.104
6.069876900D+05-2.278395427D+03 6.080324670D+00-6.066847580D-04 1.432002611D-07
-1.747990522D-11 8.935014060D-16 1.322709615D+05-1.519880037D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8670.104
2.676400347D+09-1.832948690D+06 5.099249390D+02-7.113819280D-02 5.317659880D-06
-1.963208212D-10 2.805268230D-15 1.443308939D+07-4.324044462D+03
NOCL Gurvich,1989 pt1 p389. McBride,1992 METHOD PANDK.
2 g 4/99 N 1.00O 1.00CL 1.00 0.00 0.00 0 65.4591000 52698.828
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11364.488
2.308835209D+04-5.495983840D+02 7.730463360D+00-5.073910900D-03 1.062996184D-05
-8.793249700D-09 2.648180166D-12 7.389898390D+03-1.318393021D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11364.488
-6.133413330D+05-3.919298830D+02 9.138917220D+00-2.605664613D-03 1.295687247D-06
-2.215378352D-10 1.280394898D-14 4.517328420D+03-2.307323335D+01
NOF Gurvich,1989 pt1 p382. McBride,1992 METHOD NRRAO2.
2 g 4/99 N 1.00O 1.00F 1.00 0.00 0.00 0 49.0045032 -65000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10720.271
4.755024260D+04-7.253904170D+02 7.213996360D+00-2.532427181D-03 6.377743900D-06
-5.518305880D-09 1.681935713D-12 -5.609722520D+03-1.289663616D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10720.271
1.889069274D+06-6.731022660D+03 1.419018767D+01-3.693124620D-03 9.938575140D-07
-1.080748188D-10 4.210354430D-15 3.209900780D+04-6.370266962D+01
NOF3 Gurvich,1989 pt1 p385 pt2 p246.
2 tpis89 N 1.00O 1.00F 3.00 0.00 0.00 0 87.0013096 -187000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13697.653
1.488360135D+05-2.241049812D+03 1.302355027D+01 5.463976680D-03-8.641865250D-06
5.913659030D-09-1.577009169D-12 -1.328342568D+04-4.877320739D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13697.653
-2.785625217D+05-1.252321663D+03 1.390824337D+01-3.566687500D-04 7.785011060D-08
-8.850411970D-12 4.075980030D-16 -2.025651446D+04-5.106881859D+01
NO2 Gurvich,1989 pt1 p332 pt2 p207.
2 g 4/99 N 1.00O 2.00 0.00 0.00 0.00 0 46.0055000 34193.019
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10208.175
-5.642038780D+04 9.633085720D+02-2.434510974D+00 1.927760886D-02-1.874559328D-05
9.145497730D-09-1.777647635D-12 -1.547925037D+03 4.067851210D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10208.175
7.213001570D+05-3.832615200D+03 1.113963285D+01-2.238062246D-03 6.547723430D-07
-7.611335900D-11 3.328361050D-15 2.502497403D+04-4.305130040D+01
NO2- Gurvich,1989 pt1 p334 pt2 p208.
2 tpis89 N 1.00O 2.00E 1.00 0.00 0.00 0 46.0060486 -200035.591
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10177.009
-1.282067858D+04 6.990138180D+02-2.812596273D+00 2.412894252D-02-2.831606689D-05
1.670509365D-08-3.983330130D-12 -2.809915579D+04 4.063271510D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10177.009
1.325710335D+05-1.557032129D+03 8.126721920D+00-2.728626780D-04-4.707541800D-08
2.826729008D-11-2.353985481D-15 -1.715795217D+04-2.228576043D+01
NO2CL Gurvich,1989 pt1 p391. McBride,1992 METHOD NRRAO1.
2 g 4/99 N 1.00O 2.00CL 1.00 0.00 0.00 0 81.4585000 12500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12204.839
8.508370340D+03-1.805383762D+02 3.785388560D+00 1.414934934D-02-1.423946765D-05
7.028226180D-09-1.374688214D-12 9.156246470D+02 6.958904458D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12204.839
-1.086773327D+05-1.452231167D+03 1.105656962D+01-4.000099280D-04 9.101543040D-08
-1.036656913D-11 4.781664810D-16 6.294267320D+03-3.521239681D+01
NO2F Gurvich,1989 pt1 p349. McBride,1992 METHOD NRRAO1.
2 g 4/99 N 1.00O 2.00F 1.00 0.00 0.00 0 65.0039032 -109000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11346.581
5.667856950D+04-6.538251950D+02 4.472771520D+00 1.368870672D-02-1.460533236D-05
7.779227940D-09-1.689355106D-12 -1.102179443D+04 3.292074310D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11346.581
-1.008577842D+05-1.704722752D+03 1.122954945D+01-4.685215970D-04 1.047692566D-07
-1.189150595D-11 5.470307120D-16 -6.891719180D+03-3.849788492D+01
NO3 Chase,1998 p1607.
2 j12/64 N 1.00O 3.00 0.00 0.00 0.00 0 62.0049000 71128.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10958.914
3.405398410D+04 2.266670652D+02-3.793081630D+00 4.170732700D-02-5.709913270D-05
3.834158110D-08-1.021969284D-11 7.088112200D+03 4.273091713D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10958.914
-3.943872710D+05-8.244263530D+02 1.061325843D+01-2.448749816D-04 5.406060320D-08
-6.195466750D-12 2.870000149D-16 8.982011730D+03-3.444666597D+01
NO3- Gurvich,1989 pt1 p335 pt2 p209.
2 tpis89 N 1.00O 3.00E 1.00 0.00 0.00 0 62.0054486 -310779.531
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10773.105
9.204813610D+04-3.911171150D+02-2.354356764D-01 2.836042108D-02-3.461324080D-05
2.081787460D-08-5.021601270D-12 -3.576411500D+04 2.299942308D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10773.105
-3.110005758D+05-1.369087552D+03 1.101342913D+01-4.036878820D-04 8.902086470D-08
-1.019733480D-11 4.723330790D-16 -3.364321090D+04-3.878432657D+01
NO3F Gurvich,1989 pt1 p384 pt2 p245.
2 tpis89 N 1.00O 3.00F 1.00 0.00 0.00 0 81.0033032 15000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14444.156
6.472832030D+04-8.213134310D+02 6.194917440D+00 1.805438628D-02-1.996693240D-05
1.124482018D-08-2.680013077D-12 4.206661790D+03-7.016104301D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14444.156
-3.411793300D+05-2.353908798D+03 1.628114887D+01-1.910415273D-03 4.690873560D-07
-5.686040140D-11 2.720906921D-15 9.760583980D+03-6.558153684D+01
N2 Ref-Elm. Gurvich,1978 pt1 p280 pt2 p207.
3 tpis78 N 2.00 0.00 0.00 0.00 0.00 0 28.0134000 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8670.104
2.210371497D+04-3.818461820D+02 6.082738360D+00-8.530914410D-03 1.384646189D-05
-9.625793620D-09 2.519705809D-12 7.108460860D+02-1.076003744D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8670.104
5.877124060D+05-2.239249073D+03 6.066949220D+00-6.139685500D-04 1.491806679D-07
-1.923105485D-11 1.061954386D-15 1.283210415D+04-1.586640027D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8670.104
8.310139160D+08-6.420733540D+05 2.020264635D+02-3.065092046D-02 2.486903333D-06
-9.705954110D-11 1.437538881D-15 4.938707040D+06-1.672099740D+03
N2+ Gurvich,1989 pt1 p323 pt2 p200.
3 tpis89 N 2.00E -1.00 0.00 0.00 0.00 0 28.0128514 1509508.424
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8671.100
-3.474047470D+04 2.696222703D+02 3.164916370D+00-2.132239781D-03 6.730476400D-06
-5.637304970D-09 1.621756000D-12 1.790004424D+05 6.832974166D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8671.100
-2.845599002D+06 7.058893030D+03-2.884886385D+00 3.068677059D-03-4.361652310D-07
2.102514545D-11 5.411996470D-16 1.340388483D+05 5.090897022D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8671.100
-3.712829770D+08 3.139287234D+05-9.603518050D+01 1.571193286D-02-1.175065525D-06
4.144441230D-11-5.621893090D-16 -2.217361867D+06 8.436270947D+02
N2- Chase,1998 p1623.
3 j 9/77 N 2.00E 1.00 0.00 0.00 0.00 0 28.0139486 148183.282
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8674.282
-8.146227110D+04 9.063600790D+02-1.520054079D-01 6.023190840D-03-2.897138445D-06
-4.129106680D-11 3.206989770D-13 1.218808548D+04 2.638068855D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8674.282
2.169637706D+05-1.275098516D+03 5.391095700D+00-3.198907510D-04 7.311051350D-08
-8.202017370D-12 3.740044700D-16 2.424964308D+04-9.014934294D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8674.282
1.345850786D+06-1.060565497D+03 4.732026850D+00-5.091450050D-06 1.628212099D-09
-5.224243560D-14 6.796651250D-19 2.394627677D+04-4.297861544D+00
NCN Hf:Gurvich,1991 pt1 p219. Jacox,1998 p180.
2 g 6/01 N 2.00C 1.00 0.00 0.00 0.00 0 40.0241000 500456.573
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10180.177
-5.634680700D+04 7.323804580D+02-7.821401840D-01 1.838552441D-02-1.950836491D-05
1.035712021D-08-2.208158483D-12 5.539789700D+04 2.905308985D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10180.177
-1.641880975D+05-7.767840750D+02 7.999981870D+00-1.659081508D-04 2.983403318D-08
-3.120157047D-12 1.992698720D-16 6.184424480D+04-2.149108820D+01
N2D2,cis Hf:Use NASA data for N2H2,H,&D. Chase,1998 p1044 6/77.
2 g 6/01 N 2.00D 2.00 0.00 0.00 0.00 0 32.0416040 202857.330
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10308.037
-2.743733656D+04 7.149808830D+02-2.223247620D+00 2.088722282D-02-1.821711897D-05
8.844079940D-09-1.918010649D-12 2.011115649D+04 3.637100195D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10308.037
8.798074710D+05-5.299362040D+03 1.355007485D+01-1.316635227D-03 2.755816197D-07
-3.036294387D-11 1.365324117D-15 5.356311890D+04-6.271215875D+01
N2F2 Gurvich,1989 pt1 p377 pt2 p237.
2 tpis89 N 2.00F 2.00 0.00 0.00 0.00 0 66.0102064 62373.546
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12868.756
1.543893150D+04-2.183635130D+02 3.890284250D+00 1.674017740D-02-2.056393090D-05
1.258692110D-08-3.110498290D-12 7.052038700D+03 5.265866442D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12868.756
-1.824883860D+05-9.534029960D+02 1.069795480D+01-2.759968700D-04 6.055439700D-08
-6.911215080D-12 3.192587230D-16 9.283466960D+03-3.246968772D+01
N2F4 Gurvich,1989 pt1 p380 pt2 p240.
2 tpis89 N 2.00F 4.00 0.00 0.00 0.00 0 104.0070128 -22000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17811.571
1.162914512D+05-1.538660418D+03 9.054033050D+00 2.862113563D-02-4.332286990D-05
3.067642499D-08-8.455474110D-12 2.865277526D+03-2.476493006D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17811.571
-5.188594710D+05-6.702256510D+02 1.650109262D+01-2.006404436D-04 4.436752510D-08
-5.089808880D-12 2.359374159D-16 -5.281488900D+03-6.040513435D+01
N2H2 Gurvich,1989 pt1 p356.Trans,cis,& 1,1 in equilibrium.
2 g 5/99 N 2.00H 2.00 0.00 0.00 0.00 0 30.0292800 211858.756
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9996.961
-1.504005163D+05 2.346687716D+03-9.405430290D+00 3.284299800D-02-3.121920401D-05
1.721283190D-08-4.014537220D-12 1.319384041D+04 7.832382630D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9996.961
6.217567870D+06-1.753952096D+04 2.022730509D+01-9.757297660D-04-4.208416740D-07
1.117921171D-10-7.627102210D-15 1.374152574D+05-1.199559168D+02
NH2NO2 Aminyl Nitrite. Gurvich,1989 pt1 p370 pt2 p233.
2 tpis89 N 2.00H 2.00O 2.00 0.00 0.00 0 62.0280800 -26000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12163.853
-4.573035060D+04 1.201365987D+03-8.105984110D+00 5.402715200D-02-6.438074450D-05
4.025097920D-08-1.025154190D-11 -9.615785160D+03 6.867353357D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12163.853
1.654040575D+06-8.125220880D+03 2.021742772D+01-1.244291821D-03 2.122804183D-07
-1.948359653D-11 7.439351360D-16 4.230822580D+04-1.016190179D+02
N2H4 Gurvich,1989 pt1 p360 pt2 p225.
2 g 4/99 N 2.00H 4.00 0.00 0.00 0.00 0 32.0451600 95180.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11449.304
-1.660756354D+05 3.035416736D+03-1.736889823D+01 7.159834020D-02-8.866799300D-05
5.798970280D-08-1.530037218D-11 -3.731927230D+03 1.190002218D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11449.304
3.293486700D+06-1.199850628D+04 2.104406814D+01-1.399381724D-03 1.933173351D-07
-1.318016127D-11 3.166400170D-16 8.348433700D+04-1.155751024D+02
N2O Gurvich,1989 pt1 p337 pt2 p210.
2 g 4/99 N 2.00O 1.00 0.00 0.00 0.00 0 44.0128000 81600.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9580.935
4.288225970D+04-6.440118440D+02 6.034351430D+00 2.265394436D-04 3.472782850D-06
-3.627748640D-09 1.137969552D-12 1.179405506D+04-1.003128570D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9580.935
3.438448040D+05-2.404557558D+03 9.125636220D+00-5.401667930D-04 1.315124031D-07
-1.414215100D-11 6.381066870D-16 2.198632638D+04-3.147805016D+01
N2O+ Chase,1998 p1625.
2 j12/70 N 2.00O 1.00E -1.00 0.00 0.00 0 44.0122514 1332956.507
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10623.407
-5.624147080D+04 6.696211610D+02 8.781456190D-02 1.524476027D-02-1.527290811D-05
7.827237390D-09-1.646739623D-12 1.557295192D+05 2.562354785D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10623.407
-2.983553254D+04-1.179455967D+03 8.300186690D+00-2.887267217D-04 5.705105010D-08
-5.958885120D-12 2.835725557D-16 1.646021769D+05-2.287356617D+01
N2O3 Gurvich,1989 pt1 p338 pt2 p211.
2 g 4/99 N 2.00O 3.00 0.00 0.00 0.00 0 76.0116000 86630.595
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17120.855
-9.204444170D+04 9.295520150D+02 3.203664810D+00 1.356473078D-02-6.262966070D-06
-1.402915559D-09 1.431620930D-12 3.313622080D+03 1.844430953D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17120.855
7.783881860D+05-4.483024660D+03 1.666668024D+01-2.062143878D-03 5.309541710D-07
-6.190451220D-11 2.692956658D-15 3.360912450D+04-6.739212388D+01
N2O4 Gurvich,1989 pt1 p342 pt2 p212.
2 tpis89 N 2.00O 4.00 0.00 0.00 0.00 0 92.0110000 11110.919
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16741.231
-3.804751440D+04 5.612828890D+02-2.083648324D-01 3.887087820D-02-4.422412260D-05
2.498812310D-08-5.679102380D-12 -3.310794730D+03 2.963924840D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16741.231
-4.582843760D+05-1.604749805D+03 1.674102133D+01-5.091385080D-04 1.143634670D-07
-1.316288176D-11 5.976316620D-16 4.306900520D+03-6.569450380D+01
N2O5 Gurvich,1989 pt1 p343 pt2 p213.
2 g 4/99 N 2.00O 5.00 0.00 0.00 0.00 0 108.0104000 13300.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20797.425
4.007828170D+04-8.769675120D+02 1.055932981D+01 1.394613859D-02-8.884346920D-06
8.500431150D-10 7.791550910D-13 3.038962037D+03-2.386831860D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20797.425
-5.325578960D+04-3.109277389D+03 2.036088958D+01-9.959901140D-04 2.401398635D-07
-3.057161911D-11 1.495915511D-15 1.336957281D+04-8.298623341D+01
N3 Gurvich,1989 pt1 p325 pt2 p202.
2 tpis89 N 3.00 0.00 0.00 0.00 0.00 0 42.0201000 436000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9570.906
3.337406790D+04-2.965683604D+02 3.314279150D+00 6.721685360D-03-4.181126390D-06
8.618442360D-10 6.883352530D-14 5.298840620D+04 5.312776486D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9570.906
2.529264658D+05-2.362876591D+03 9.135267130D+00-6.212870850D-04 1.324094351D-07
-1.478989640D-11 6.721230470D-16 6.412695390D+04-3.135825973D+01
N3H Gurvich,1989 pt1 p362 pt2 p226.
2 g 4/99 N 3.00H 1.00 0.00 0.00 0.00 0 43.0280400 294000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10947.183
3.242576060D+03 6.692664890D+01 1.766142217D+00 1.487411419D-02-1.539086440D-05
9.172303550D-09-2.337205474D-12 3.392069700D+04 1.513752057D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10947.183
1.170469241D+06-5.102451990D+03 1.278288910D+01-8.409487160D-04 1.592142834D-07
-1.512289051D-11 6.102906630D-16 6.428344470D+04-5.513119108D+01
Na Hf:Cox,1989. Martin,W.C.,1981. Gordon,1999.
3 g 8/97 NA 1.00 0.00 0.00 0.00 0.00 0 22.9897700 107500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.218382949D+04 4.244028180D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
9.525723380D+05-2.623807254D+03 5.162596620D+00-1.210218586D-03 2.306301844D-07
-1.249597843D-11 7.226771190D-16 2.912963564D+04-1.519717061D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.592533392D+09-9.717836660D+05 2.238443963D+02-2.380930558D-02 1.352018117D-06
-3.936971110D-11 4.630689121D-16 7.748677260D+06-1.939615505D+03
Na+ Martin,W.C.,1981. Gordon,1999.
3 g 1/98 NA 1.00E -1.00 0.00 0.00 0.00 0 22.9892214 609542.928
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 7.256537070D+04 3.550845080D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 7.256537070D+04 3.550845080D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
3.401202990D+04-2.137774622D+01 2.505443851D+00-7.186631690D-07 5.188796390D-11
-1.944511626D-15 2.959355125D-20 7.273413620D+04 3.503904060D+00
Na- Hotop,1985. Gordon,1999.
3 g 4/97 NA 1.00E 1.00 0.00 0.00 0.00 0 22.9903186 48453.428
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000001D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 5.082199670D+03 3.550916790D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000001D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 5.082199670D+03 3.550916790D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000001D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 5.082199670D+03 3.550916790D+00
NaALF4 Gurvich,1982 pt1 p359 pt2 p393.
2 tpis82 NA 1.00AL 1.00F 4.00 0.00 0.00 0 125.9649208 -1857841.546
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20808.667
1.315359536D+05-2.394685695D+03 1.909539612D+01 1.044339733D-03-6.949754130D-06
6.769098140D-09-2.176199098D-12 -2.150512366D+05-7.505102130D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20808.667
-3.571177930D+05-2.496543879D+02 1.618634511D+01-7.449049300D-05 1.644510872D-08
-1.883696066D-12 8.719877450D-17 -2.279533538D+05-5.370665140D+01
NaBO2 Gurvich,1982 pt1 p358 pt2 p392.
2 tpis82 NA 1.00B 1.00O 2.00 0.00 0.00 0 65.7995700 -633449.330
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13682.670
5.046867360D+04-8.699970600D+02 8.942208240D+00 1.092655824D-03 1.440608828D-06
-2.254633535D-09 8.123312850D-13 -7.378318360D+04-1.951815135D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13682.670
8.595814050D+04-1.691902222D+03 1.118847517D+01-4.564202310D-04 9.804505160D-08
-1.101655008D-11 5.029172760D-16 -6.949292060D+04-3.416353130D+01
NaBr Gurvich,1982 pt1 p342 pt2 p379.
2 tpis82 NA 1.00BR 1.00 0.00 0.00 0.00 0 102.8937700 -145928.882
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9821.118
-1.466827136D+04 7.622282870D+01 3.921163470D+00 1.793780908D-03-2.457391648D-06
1.739334522D-09-4.796701380D-13 -1.926491755D+04 6.404382860D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9821.118
8.978513020D+05-2.697899721D+03 7.545377160D+00-1.566692184D-03 4.470392740D-07
-4.832810210D-11 1.423961300D-15 -1.750862247D+03-1.856478949D+01
NaCN Chase,1998 p634.
2 j 3/66 NA 1.00C 1.00N 1.00 0.00 0.00 0 49.0071700 94266.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12125.972
2.446165410D+04-7.536019970D+02 1.044966241D+01-1.168769048D-02 1.849279385D-05
-1.319387974D-08 3.589766560D-12 1.297820493D+04-2.988519681D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12125.972
3.665570290D+05-1.782094358D+03 8.699622630D+00-4.463297000D-04 9.362229310D-08
-1.033071320D-11 4.650466810D-16 2.010926347D+04-2.419276094D+01
NaCL Gurvich,1982 pt1 p337 pt2 p375.
2 tpis82 NA 1.00CL 1.00 0.00 0.00 0.00 0 58.4427700 -181544.884
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9615.116
4.362378350D+04-7.583034460D+02 8.259173000D+00-9.640915140D-03 1.358854616D-05
-9.667032250D-09 2.746261290D-12 -1.950409477D+04-1.936687551D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9615.116
3.314498760D+05-8.968315650D+02 5.277287380D+00-1.475674008D-04-1.491128988D-08
2.465673596D-11-2.730355213D-15 -1.736277667D+04-3.998288560D+00
NaF Gurvich,1982 pt1 p332 pt2 p371.
2 tpis82 NA 1.00F 1.00 0.00 0.00 0.00 0 41.9881732 -295156.889
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9225.111
3.959887440D+04-6.534626070D+02 6.941173200D+00-5.307814930D-03 6.979720660D-06
-4.820425730D-09 1.364849175D-12 -3.352940890D+04-1.403212229D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9225.111
-1.092926912D+06 3.293303640D+03 4.135919840D-01 2.634994470D-03-8.384295630D-07
1.417053025D-10-8.600270160D-15 -5.772884630D+04 2.909489906D+01
NaH Gurvich,1982 pt1 p326 pt2 p366.
2 tpis82 NA 1.00H 1.00 0.00 0.00 0.00 0 23.9977100 140835.105
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8731.105
-3.222206410D+04 6.237622010D+02-9.216277510D-01 1.360765851D-02-1.659249878D-05
1.033284544D-08-2.589726392D-12 1.307381654D+04 2.641418597D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8731.105
-4.756184750D+06 1.452047626D+04-1.327563485D+01 1.055828277D-02-2.990041189D-06
3.905322880D-10-1.923931194D-14 -7.632922270D+04 1.222070060D+02
NaI Gurvich,1982 pt1 p345 pt2 p382.
2 tpis82 NA 1.00I 1.00 0.00 0.00 0.00 0 149.8942400 -90637.880
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9952.120
1.228868506D+04-2.857192800D+02 5.961057000D+00-3.792532580D-03 5.566881310D-06
-4.045013680D-09 1.172998933D-12 -1.088250556D+04-3.990739920D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9952.120
2.281549408D+06-7.093156630D+03 1.304994968D+01-5.013492330D-03 1.581735155D-06
-2.285837754D-10 1.195889950D-14 3.253893620D+04-5.640023320D+01
NaLi Gurvich,1982 pt1 p363 pt2 p396.
2 tpis82 NA 1.00LI 1.00 0.00 0.00 0.00 0 29.9307700 178598.320
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9993.120
-6.569992760D+03-5.253940430D+00 4.329384260D+00 1.097919189D-03-1.965726597D-06
2.086472026D-09-8.195988110D-13 2.016224293D+04 1.413253322D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9993.120
1.091664860D+07-3.480010640D+04 4.614311920D+01-2.260951051D-02 5.685324370D-06
-6.458143300D-10 2.696508992D-14 2.394431755D+05-2.961780126D+02
NaNO2 Gurvich,1982 pt1 p352 pt2 p387.
2 g10/99 NA 1.00N 1.00O 2.00 0.00 0.00 0 68.9952700 -166292.779
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14807.221
-6.934460610D+04 1.115432670D+03-1.816284973D+00 2.916366016D-02-3.505788520D-05
2.128602855D-08-5.226211990D-12 -2.707275053D+04 4.121853253D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14807.221
-1.765557495D+05-8.635212950D+02 1.064105940D+01-2.559465044D-04 5.654465630D-08
-6.486710320D-12 3.008171243D-16 -1.868435672D+04-2.921304474D+01
NaNO3 Gurvich,1982 pt1 p355 pt2 p389.
2 tpis82 NA 1.00N 1.00O 3.00 0.00 0.00 0 84.9946700 -285528.711
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15401.289
-2.043852507D+04 6.917093410D+02-2.397485012D+00 4.100386430D-02-5.141702580D-05
3.228622470D-08-8.164691600D-12 -3.906401320D+04 4.174749459D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15401.289
-3.225592190D+05-1.396782195D+03 1.403092409D+01-4.098161770D-04 9.023845720D-08
-1.032543966D-11 4.778671550D-16 -3.138889875D+04-4.959121431D+01
NaO Gurvich,1982 pt1 p318 pt2 p358.
2 tpis82 NA 1.00O 1.00 0.00 0.00 0.00 0 38.9891700 106505.317
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9753.117
1.857748013D+04-3.371497320D+02 5.644560020D+00-3.136926368D-03 6.330775390D-06
-5.429462470D-09 1.687183770D-12 1.320332678D+04-4.996131150D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9753.117
2.569744011D+05-2.269334161D+03 9.224397620D+00-3.651269100D-03 1.446811119D-06
-2.443068386D-10 1.428508328D-14 2.413239357D+04-2.989159486D+01
NaOH Gurvich,1996b.
2 g12/96 NA 1.00O 1.00H 1.00 0.00 0.00 0 39.9971100 -191000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11397.671
3.442036740D+04-7.923218180D+02 8.997932300D+00-4.079844520D-03 3.065783937D-06
-5.119189340D-10-1.541016409D-13 -2.086951091D+04-2.510590090D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11397.671
8.753787760D+05-2.342514649D+03 7.978469890D+00 1.016451512D-04-6.268531950D-08
1.022715136D-11-5.713286410D-16 -9.509901710D+03-2.202310401D+01
NaOH+ Chase,1998 p1297 12/71. Jacox,1994.
3 g 2/01 NA 1.00O 1.00H 1.00E -1.00 0.00 0 39.9965614 683862.371
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11694.871
2.278039363D+04-6.672194220D+02 8.921593120D+00-4.481263270D-03 3.951883920D-06
-1.173341234D-09 2.041806631D-14 8.363382190D+04-2.258912262D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11694.871
8.815413650D+05-2.363159755D+03 8.053203930D+00 7.271279740D-05-5.897417890D-08
1.007487881D-11-5.474406210D-16 9.584441650D+04-2.079484012D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11694.871
-2.839326542D+07 1.778338286D+04 2.821047612D+00 5.793749100D-04-3.328793850D-08
9.421248450D-13-1.072317149D-17 -6.175194270D+04 2.465488033D+01
Na2 Gurvich,1982 pt1 p314 pt2 p357.
2 tpis82 NA 2.00 0.00 0.00 0.00 0.00 0 45.9795400 142339.125
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10403.125
6.848628680D+03-1.530836599D+02 5.325230390D+00-1.944906088D-03 2.657477888D-06
-9.096841120D-10-2.448756730D-13 1.649170574D+04-2.653564394D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10403.125
1.929940758D+07-6.269280120D+04 8.267682110D+01-4.565137810D-02 1.259515667D-05
-1.560445735D-09 7.024677170D-14 4.090820800D+05-5.509970890D+02
Na2Br2 Gurvich,1982 pt1 p342 pt2 p380.
2 tpis82 NA 2.00BR 2.00 0.00 0.00 0.00 0 205.7875400 -480848.453
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19591.547
-1.384946731D+04-1.573241177D+02 1.063192589D+01-1.383418339D-03 1.697156537D-06
-1.092992547D-09 2.870988020D-13 -6.010391820D+04-1.861473856D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19591.547
-3.021730975D+04-2.659232780D+00 1.000225819D+01-9.935490630D-07 2.358676253D-10
-2.857194816D-14 1.381909879D-18 -6.090039920D+04-1.494517863D+01
Na2CL2 Gurvich,1982 pt1 p338 pt2 p376.
2 tpis82 NA 2.00CL 2.00 0.00 0.00 0.00 0 116.8855400 -564401.783
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18699.327
-1.082955250D+04-3.139528641D+02 1.124411332D+01-2.697665795D-03 3.286359480D-06
-2.105377639D-09 5.508056610D-13 -6.938675430D+04-2.511011582D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18699.327
-4.412105230D+04-5.393491280D+00 1.000453407D+01-1.981155641D-06 4.680188200D-10
-5.648940680D-14 2.724721177D-18 -7.098063410D+04-1.787230397D+01
Na2F2 Gurvich,1982 pt1 p333 pt2 p372.
2 tpis82 NA 2.00F 2.00 0.00 0.00 0.00 0 83.9763464 -834062.776
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16682.330
2.351580802D+04-1.000737062D+03 1.375845076D+01-7.838346980D-03 9.276288700D-06
-5.813612970D-09 1.495354820D-12 -9.835831880D+04-4.381148090D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16682.330
-9.030750690D+04-1.893938035D+01 1.001535518D+01-6.539675450D-06 1.516333603D-09
-1.804877459D-13 8.613474920D-18 -1.034896664D+05-2.178860202D+01
Na2I2 Gurvich,1982 pt1 p346 pt2 p383.
2 tpis82 NA 2.00I 2.00 0.00 0.00 0.00 0 299.7884800 -356869.932
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20246.068
-1.305063983D+04-8.992506680D+01 1.036367976D+01-8.000070190D-04 9.848777980D-07
-6.359373120D-10 1.673774775D-13 -4.551465490D+04-1.487509548D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20246.068
-2.231236397D+04-1.515570558D+00 1.000129413D+01-5.715035380D-07 1.360287207D-10
-1.650916036D-14 7.996149680D-19 -4.596921750D+04-1.276523965D+01
Na2O Gurvich,1982 pt1 p321 pt2 p361.
2 tpis82 NA 2.00O 1.00 0.00 0.00 0.00 0 61.9789400 -16559.830
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14410.170
3.901149290D+04-7.266207890D+02 9.623710780D+00-3.556418640D-03 3.470704350D-06
-1.835177736D-09 4.062134710D-13 -4.593073250D+02-2.349565832D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14410.170
-6.600525160D+04-2.569021634D+01 7.519385420D+00-7.811635240D-06 1.735015890D-09
-1.996634558D-13 9.276433550D-18 -4.297339650D+03-1.063530214D+01
Na2O+ Gurvich,1982 pt1 p322 pt2 p362.
2 tpis82 NA 2.00O 1.00E -1.00 0.00 0.00 0 61.9783914 520833.968
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14606.568
2.647969755D+04-5.969062160D+02 9.294129530D+00-3.080702005D-03 3.080460653D-06
-1.669452593D-09 3.789784140D-13 6.347310250D+04-2.025274459D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14606.568
-5.740909330D+04-1.989178143D+01 7.515295260D+00-6.258333230D-06 1.407321045D-09
-1.635833952D-13 7.662445130D-18 6.032977470D+04-9.426526740D+00
Na2O2 Gurvich,1982 pt1 p324 pt2 p364.
2 tpis82 NA 2.00O 2.00 0.00 0.00 0.00 0 77.9783400 -123930.345
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15565.255
7.382458920D+04-1.355125340D+03 1.255579861D+01-2.112046045D-03 4.920353520D-08
1.003950603D-09-4.447732070D-13 -1.058858918D+04-4.021811780D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15565.255
-1.732295239D+05-1.137561118D+02 1.008529143D+01-3.422098940D-05 7.577721890D-09
-8.701256730D-13 4.036061390D-17 -1.780300574D+04-2.386789190D+01
Na2O2H2 Gurvich,1996b.
2 g 8/01 NA 2.00O 2.00H 2.00 0.00 0.00 0 79.9942200 -624000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19346.141
1.089414289D+05-2.634822704D+03 2.306608858D+01-1.689310193D-02 1.673483190D-05
-7.821166010D-09 1.475034470D-12 -6.593137330D+04-9.802987580D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19346.141
1.675713839D+06-4.704921170D+03 1.697343934D+01 1.961487616D-04-1.236951748D-07
2.025311778D-11-1.132991623D-15 -4.856245570D+04-6.813480980D+01
Na2SO4 Gurvich,1982 pt1 p349 pt2 p385.
2 tpis82 NA 2.00S 1.00O 4.00 0.00 0.00 0 142.0421400 -1040132.302
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20971.698
8.344283210D+04-1.210880769D+03 8.742353000D+00 3.600796630D-02-5.117645960D-05
3.481569040D-08-9.321931220D-12 -1.217387045D+05-2.061505785D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20971.698
-5.754483110D+05-9.817060340D+02 1.973310397D+01-2.936395520D-04 6.498708170D-08
-7.462479400D-12 3.462491660D-16 -1.270597762D+05-7.667871596D+01
Na3CL3 Gurvich,1982 pt1 p339 pt2 p377.
2 tpis82 NA 3.00CL 3.00 0.00 0.00 0.00 0 175.3283100 -912674.509
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 29477.157
-1.254216670D+04-5.502160460D+02 1.816110649D+01-4.656515260D-03 5.646438220D-06
-3.604760320D-09 9.405556240D-13 -1.119270172D+05-5.290104960D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 29477.157
-7.160297970D+04-9.573493810D+00 1.600799614D+01-3.478356970D-06 8.190943690D-10
-9.863210030D-14 4.749005350D-18 -1.147252948D+05-4.031342160D+01
Na3F3 Gurvich,1982 pt1 p334 pt2 p373.
2 tpis82 NA 3.00F 3.00 0.00 0.00 0.00 0 125.9645196 -1348015.386
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25602.274
5.247030350D+04-1.775597273D+03 2.250927609D+01-1.333033615D-02 1.555790239D-05
-9.646011460D-09 2.460254271D-12 -1.580736389D+05-8.580122370D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25602.274
-1.553995698D+05-3.551970190D+01 1.602841159D+01-1.198056094D-05 2.757248730D-09
-3.263300970D-13 1.550483212D-17 -1.672141773D+05-4.753780680D+01
Nb Hf:Gurvich,1982. Moore,1971. Moore,1970a. Gordon,1999.
3 g 3/98 NB 1.00 0.00 0.00 0.00 0.00 0 92.9063800 723113.099
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8354.099
7.889660670D+04-1.212813914D+03 1.034579819D+01-1.676630056D-02 1.979119979D-05
-1.218224409D-08 3.058098336D-12 9.165315140D+04-3.594742850D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8354.099
-1.096553196D+06 2.546650713D+03 2.236054882D+00-1.280029198D-03 8.464237990D-07
-1.486269508D-10 8.714309406D-15 6.879124550D+04 1.398169030D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8354.099
1.818626365D+09-1.032414940D+06 2.308238005D+02-2.445004311D-02 1.395626888D-06
-4.087233010D-11 4.826490497D-16 8.359622560D+06-1.997797290D+03
Nb+ Moore,1971. Moore,1970a. Gordon,1999.
3 g 7/97 NB 1.00E -1.00 0.00 0.00 0.00 0 92.9058314 1393604.675
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8589.075
1.314447859D+05-2.000135035D+03 1.505024212D+01-2.996583942D-02 3.729868630D-05
-2.269869569D-08 5.449089902D-12 1.760054029D+05-6.224595520D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8589.075
-1.077639646D+06 2.159046421D+03 2.310604767D+00-5.363991760D-04 5.057915090D-07
-1.032401533D-10 6.629241280D-15 1.517945546D+05 1.210678502D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8589.075
1.876113970D+07-2.202847919D+04 1.427004521D+01-2.295936786D-03 2.430819459D-07
-1.116131589D-11 1.836221996D-16 3.245415600D+05-8.494555710D+01
Nb- Hotop,1985. Gordon,1999.
3 g 9/97 NB 1.00E 1.00 0.00 0.00 0.00 0 92.9069286 631054.008
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8653.808
-7.220924850D+04 5.259501250D+02 3.470468390D+00-4.950505530D-03 7.401859030D-06
-5.016302070D-09 1.314100719D-12 7.178828870D+04 5.155510070D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8653.808
1.117458019D+05 1.340072834D+02 2.391474129D+00 4.524813430D-05-1.025345000D-08
1.195577988D-12-5.606330450D-17 7.473996750D+04 9.675315610D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8653.808
-1.279446680D+05 1.664265071D+02 2.463334336D+00 4.161717840D-06-2.573750764D-10
8.239892930D-15-1.069096936D-19 7.430433860D+04 9.186188470D+00
NbCL5 Chase,1998 p918.
2 j12/74 NB 1.00CL 5.00 0.00 0.00 0.00 0 270.1713800 -703330.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26343.163
7.348277970D+04-1.919172996D+03 2.290799567D+01-1.404352774D-02 1.638106985D-05
-1.018941843D-08 2.612266639D-12 -7.974118810D+04-8.439637087D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26343.163
-1.563816638D+05-4.450521280D+01 1.603544630D+01-1.489949737D-05 3.420777920D-09
-4.041124420D-13 1.917266128D-17 -8.962815120D+04-4.374582607D+01
NbO Gurvich,1982 pt1 p76 pt2 p78.
3 tpis82 NB 1.00O 1.00 0.00 0.00 0.00 0 108.9057800 210988.706
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8780.106
-6.797834360D+03 2.839767438D+02 5.645708400D-01 1.134928619D-02-1.549821141D-05
1.047624988D-08-2.762937835D-12 2.317993893D+04 2.365708974D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8780.106
5.532258780D+05-1.287669306D+03 4.980066040D+00 1.116014163D-04 4.031838680D-08
1.048773710D-11-1.893595022D-15 3.268457790D+04-1.868958549D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8780.106
5.210846640D+07-7.508889140D+04 3.023869608D+01-2.881829240D-03 1.595446362D-07
-4.532772640D-12 5.266479160D-17 5.788974420D+05-2.169255418D+02
NbOCL3 Barin,1989. Wagman,1982.
2 bar 89 NB 1.00O 1.00CL 3.00 0.00 0.00 0 215.2647800 -752300.000
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20631.000
-1.108482359D+05 1.173066983D+02 1.165558433D+01 1.287422064D-03-1.659778281D-06
1.102107826D-09-2.949903264D-13 -9.504023920D+04-2.386450092D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20631.000
-1.515551427D+05 5.305545230D+01 1.228915282D+01-1.527366571D-04 6.778576440D-08
-9.365170650D-12 4.670036930D-16 -9.490768120D+04-2.745263834D+01
NbO2 Gurvich,1982 pt1 p80 pt2 p81.
2 tpis82 NB 1.00O 2.00 0.00 0.00 0.00 0 124.9051800 -201266.752
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10654.352
1.739046582D+04 3.881029440D+01 9.024299120D-01 1.909523319D-02-2.667013583D-05
1.813901051D-08-4.872365880D-12 -2.528518558D+04 2.289323379D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10654.352
-6.851859900D+05 9.112249320D+02 6.339199840D+00-8.230080300D-05 1.984439605D-07
-3.261171490D-11 1.602430854D-15 -3.325027320D+04-3.559556550D+00
Ne Ref-Elm. Moore,1971. Moore,1970a. Gordon,1999.
3 g 5/97 NE 1.00 0.00 0.00 0.00 0.00 0 20.1797000 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.453750000D+02 3.355322720D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.453750000D+02 3.355322720D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-1.238252746D+07 6.958579580D+03 1.016709287D+00 1.424664555D-04-4.803933930D-09
-1.170213183D-13 8.415153652D-18 -5.663933630D+04 1.648438697D+01
Ne+ Moore,1971. Moore,1970a. Gordon,1999.
3 g 3/97 NE 1.00E -1.00 0.00 0.00 0.00 0 20.1791514 2086965.946
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6304.214
7.281551480D+04-8.695697990D+02 6.108646970D+00-5.841356930D-03 5.041044170D-06
-2.293759207D-09 4.339065680D-13 2.545996890D+05-1.673449355D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6304.214
-1.112742658D+05 4.765697970D+02 2.196650531D+00 1.102593151D-04-2.287564425D-08
2.510218183D-12-1.126646096D-16 2.472536944D+05 7.466140540D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6304.214
-5.615474110D+04 1.418980160D+02 2.475716842D+00 1.944430992D-06-6.323099200D-11
-1.313313446D-16 3.534699010D-20 2.494452217D+05 5.366882220D+00
Ni Hf:Hultgren,1973. Litzen,1993. Gordon,1999.
3 g 8/97 NI 1.00 0.00 0.00 0.00 0.00 0 58.6934000 430116.605
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6825.013
-3.235810550D+04 6.015264620D+02-1.079270657D+00 1.089505519D-02-1.369578748D-05
8.317725790D-09-2.019206968D-12 4.813810810D+04 2.718829200D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6825.013
-4.938262210D+05 1.092909991D+03 2.410485014D+00-1.599071827D-05-1.047414069D-08
4.624795210D-12-4.448865218D-17 4.336072170D+04 9.677195600D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6825.013
3.492669880D+08-1.654227575D+05 3.349869360D+01-3.527085900D-03 3.240060240D-07
-1.604177606D-11 2.935430214D-16 1.409017848D+06-2.672455567D+02
Ni+ Sugar,1985. Gordon,1999.
3 g 8/97 NI 1.00E -1.00 0.00 0.00 0.00 0 58.6928514 1172594.573
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6205.773
-8.969386030D+04 1.173601500D+03-3.410620410D+00 1.390739137D-02-1.501714923D-05
7.896337900D-09-1.648686761D-12 1.345589500D+05 4.031495160D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6205.773
-3.961999320D+06 1.017084853D+04-6.029331290D+00 2.770858029D-03-8.902077700D-08
-5.541000580D-11 5.235342833D-15 7.340395120D+04 7.137503100D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6205.773
5.286662360D+07-3.719827100D+04 1.470794435D+01-1.489309517D-03 8.648712770D-08
-1.705443550D-12 5.049635419D-18 4.253204090D+05-9.590502160D+01
Ni- Hotop,1985. Gordon,1999.
3 g 9/97 NI 1.00E 1.00 0.00 0.00 0.00 0 58.6939486 311764.357
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6207.157
-8.437624750D+04 1.135476552D+03-3.380615830D+00 1.423003786D-02-1.582586302D-05
8.608840410D-09-1.875316029D-12 3.124307590D+04 3.998061300D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6207.157
-5.433424800D+05 1.182645330D+03 2.126441240D+00 3.730455940D-05 6.953608430D-09
-1.945719381D-12 1.271571579D-16 2.854759122D+04 1.043462235D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6207.157
2.235741343D+06-7.539321100D+02 2.675777011D+00-2.056834268D-05 1.297167360D-09
-4.210909080D-14 5.520885950D-19 4.359114370D+04 5.724516640D+00
NiCL Chase,1998 p794.
2 j 9/77 NI 1.00CL 1.00 0.00 0.00 0.00 0 94.1464000 182004.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9464.921
-2.357997085D+04 2.205491630D+02 2.714260287D+00 4.453598470D-03-2.849162229D-06
-1.691898007D-10 5.156699260D-13 1.957229490D+04 1.423643068D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9464.921
-3.905769190D+06 9.961533990D+03-3.839432340D+00 2.767979391D-03-7.005959380D-08
-5.741403660D-11 5.307635800D-15 -4.505397050D+04 6.769402548D+01
NiCL2 Chase,1998 p840.
2 j 9/77 NI 1.00CL 2.00 0.00 0.00 0.00 0 129.5994000 -73931.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14206.546
7.109976530D+04-1.218958288D+03 1.208750596D+01-8.674403140D-03 1.043608104D-05
-6.298493010D-09 1.485857653D-12 -5.006998710D+03-3.499472036D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14206.546
1.585889817D+05-1.161488738D+03 9.608015380D+00-9.461224510D-04 2.608172043D-07
-3.264637250D-11 1.525950893D-15 -4.578985540D+03-2.212397347D+01
NiO Pedley,1983 p1012 p1019.
2 g12/00 NI 1.00O 1.00 0.00 0.00 0.00 0 74.6928000 297064.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8866.569
2.320630462D+04-1.907136094D+02 3.190178620D+00 5.291383490D-03-8.080210430D-06
5.839812760D-09-1.639499596D-12 3.576711120D+04 7.841265670D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8866.569
-7.234091940D+04-8.035554270D+01 4.559221020D+00 2.305154510D-05 5.139832820D-09
-5.853474910D-13 2.697077329D-17 3.461143850D+04 1.209414814D+00
NiS Chase,1998 p1707.
2 j12/76 NI 1.00S 1.00 0.00 0.00 0.00 0 90.7584000 357419.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9218.527
-1.272488974D+04 1.432801381D+02 2.471951556D+00 5.505271120D-03-3.418355280D-06
-3.099052241D-10 6.268154670D-13 4.117716080D+04 1.517981835D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9218.527
-7.358128980D+05 1.178231095D+03 4.837865580D+00-3.931201390D-04 1.341974852D-07
-1.569591708D-11 6.677045060D-16 3.275565940D+04 3.690652283D+00
O D0(O2):Brix,1954. Moore,1976. Gordon,1999.
3 g 5/97 O 1.00 0.00 0.00 0.00 0.00 0 15.9994000 249175.003
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6725.403
-7.953611300D+03 1.607177787D+02 1.966226438D+00 1.013670310D-03-1.110415423D-06
6.517507500D-10-1.584779251D-13 2.840362437D+04 8.404241820D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6725.403
2.619020262D+05-7.298722030D+02 3.317177270D+00-4.281334360D-04 1.036104594D-07
-9.438304330D-12 2.725038297D-16 3.392428060D+04-6.679585350D-01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6725.403
1.779004264D+08-1.082328257D+05 2.810778365D+01-2.975232262D-03 1.854997534D-07
-5.796231540D-12 7.191720164D-17 8.890942630D+05-2.181728151D+02
O+ Martin,W.C.,1993. Gordon,1999.
3 g 8/97 O 1.00E -1.00 0.00 0.00 0.00 0 15.9988514 1568787.228
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.879352842D+05 4.393376760D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-2.166513208D+05 6.665456150D+02 1.702064364D+00 4.714992810D-04-1.427131823D-07
2.016595903D-11-9.107157762D-16 1.837191966D+05 1.005690382D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-2.143835383D+08 1.469518523D+05-3.680864540D+01 5.036164540D-03-3.087873854D-07
9.186834870D-12-1.074163268D-16 -9.614208960D+05 3.426193080D+02
O- Gurvich,1989 pt1 p93. Hotop,1985. Gordon,1999.
3 g 1/97 O 1.00E 1.00 0.00 0.00 0.00 0 15.9999486 101846.192
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6570.792
-5.695857110D+03 1.099287334D+02 2.184719661D+00 5.326359800D-04-5.298878440D-07
2.870216236D-10-6.524692740D-14 1.093287498D+04 6.729863860D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6570.792
9.769363180D+03 7.159604780D+00 2.494961726D+00 1.968240938D-06-4.304174850D-10
4.912083080D-14-2.271600083D-18 1.149554438D+04 4.837036440D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6570.792
5.662391000D+02 7.572340320D+00 2.498352500D+00 1.862632395D-07-1.151227211D-11
3.688814210D-16-4.793297600D-21 1.148426000D+04 4.813406590D+00
OD D0(OH)with ZPEadj. Gurvich,1989 pt1 p135 pt2 p47.
2 g 4/02 O 1.00D 1.00 0.00 0.00 0.00 0 18.0135020 35172.008
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8999.108
2.118691536D+04-2.785982360D+02 5.456210120D+00-6.148119830D-03 9.117670560D-06
-5.527812710D-09 1.239794711D-12 0.000000000D+00 4.464878250D+03-7.616618910D+00
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8999.108
7.832473160D+05-2.532992554D+03 5.952124650D+00-3.743595280D-04 4.959527620D-08
3.454454730D-12-7.380626800D-16 0.000000000D+00 1.930492973D+04-1.568898441D+01
OD- Gurvich,1989 pt1 p137 pt2 p48.
2 g 4/02 O 1.00D 1.00E 1.00 0.00 0.00 0 18.0140506 -147557.896
298.150 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8642.104
5.606128320D+04-7.514156150D+02 7.544188470D+00-1.092083064D-02 1.503688938D-05
-9.351665840D-09 2.246466046D-12 0.000000000D+00-1.515707370D+04-2.106498377D+01
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8642.104
3.029467029D+05-1.079684654D+03 4.211417380D+00 6.260830070D-04-2.411665054D-07
4.248425540D-11-2.387099102D-15 0.000000000D+00-1.188935343D+04-4.724898790D+00
OH D0(H-OH): Ruscic,2002. Gurvich,1978 pt1 p110 pt2 p37.
3 g 4/02 O 1.00H 1.00 0.00 0.00 0.00 0 17.0073400 37278.206
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8813.106
-1.998858990D+03 9.300136160D+01 3.050854229D+00 1.529529288D-03-3.157890998D-06
3.315446180D-09-1.138762683D-12 0.000000000D+00 2.991214235D+03 4.674110790D+00
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8813.106
1.017393379D+06-2.509957276D+03 5.116547860D+00 1.305299930D-04-8.284322260D-08
2.006475941D-11-1.556993656D-15 0.000000000D+00 2.019640206D+04-1.101282337D+01
6000.000 20000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8813.106
2.847234193D+08-1.859532612D+05 5.008240900D+01-5.142374980D-03 2.875536589D-07
-8.228817960D-12 9.567229020D-17 0.000000000D+00 1.468393908D+06-4.023555580D+02
OH+ IP: Wiedmann,1992. Gurvich,1978 v1 pt2 p39.
3 g 4/02 O 1.00H 1.00E -1.00 0.00 0.00 0 17.0067914 1299213.203
298.150 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8603.103
6.031630860D+04-7.573520300D+02 7.307752930D+00-9.506881670D-03 1.202555795D-05
-6.829026100D-09 1.501588659D-12 0.000000000D+00 1.589262158D+05-1.950106996D+01
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8603.103
5.040729100D+05-1.380052958D+03 4.125462200D+00 8.331948840D-04-3.442856290D-07
6.792853950D-11-4.363872130D-15 0.000000000D+00 1.643839235D+05-3.997058490D+00
6000.000 20000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8603.103
1.158286700D+09-6.841280390D+05 1.576194558D+02-1.618421339D-02 8.846128780D-07
-2.475038507D-11 2.807730875D-16 0.000000000D+00 5.616597180D+06-1.351879042D+03
OH- Gurvich,1989 pt1 p118 pt2 p32.
2 g 4/02 O 1.00H 1.00E 1.00 0.00 0.00 0 17.0078886 -145256.196
298.150 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8606.104
2.910880827D+04-3.216904940D+02 4.851029050D+00-2.579035357D-03 2.004980024D-06
-7.956852960D-11-2.320495634D-13 0.000000000D+00-1.688886234D+04-7.121591300D+00
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8606.104
4.711331170D+05-8.572336690D+02 3.166181210D+00 1.233581296D-03-3.999244580D-07
6.239081670D-11-3.354343220D-15 0.000000000D+00-1.224849139D+04 1.487736260D+00
O2 Ref-Elm. Gurvich,1989 pt1 p94 pt2 p9.
3 tpis89 O 2.00 0.00 0.00 0.00 0.00 0 31.9988000 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.104
-3.425563420D+04 4.847000970D+02 1.119010961D+00 4.293889240D-03-6.836300520D-07
-2.023372700D-09 1.039040018D-12 -3.391454870D+03 1.849699470D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.104
-1.037939022D+06 2.344830282D+03 1.819732036D+00 1.267847582D-03-2.188067988D-07
2.053719572D-11-8.193467050D-16 -1.689010929D+04 1.738716506D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.104
4.975294300D+08-2.866106874D+05 6.690352250D+01-6.169959020D-03 3.016396027D-07
-7.421416600D-12 7.278175770D-17 2.293554027D+06-5.530621610D+02
O2+ Gurvich,1989 pt1 p98 pt2 p11.
3 tpis89 O 2.00E -1.00 0.00 0.00 0.00 0 31.9982514 1171828.436
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9311.112
-8.607205450D+04 1.051875934D+03-5.432380470D-01 6.571166540D-03-3.274263750D-06
5.940645340D-11 3.238784790D-13 1.345544668D+05 2.902709750D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9311.112
7.384654880D+04-8.459559540D+02 4.985164160D+00-1.611010890D-04 6.427083990D-08
-1.504939874D-11 1.578465409D-15 1.446321044D+05-5.811230650D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9311.112
-1.562125524D+09 1.161406778D+06-3.302504720D+02 4.710937520D-02-3.354461380D-06
1.167968599D-10-1.589754791D-15 -8.857866270D+06 2.852035602D+03
O2- Gurvich,1989 pt1 p100 pt2 p13.
2 g11/99 O 2.00E 1.00 0.00 0.00 0.00 0 31.9993486 -48027.921
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9349.611
1.883874344D+04 1.149551768D+02 1.518876821D+00 8.016111380D-03-9.850571030D-06
6.044196210D-09-1.486439845D-12 -7.101538760D+03 1.501210380D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9349.611
-5.655208050D+04-2.367815862D+02 4.675833670D+00-2.197245300D-05 1.711509280D-08
-1.757645062D-12 8.248172790D-17 -5.960177750D+03-2.436885556D+00
O3 Gurvich,1989 pt1 p101 pt2 p15.
2 g 8/01 O 3.00 0.00 0.00 0.00 0.00 0 47.9982000 141800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10366.305
-1.282314507D+04 5.898216640D+02-2.547496763D+00 2.690121526D-02-3.528258340D-05
2.312290922D-08-6.044893270D-12 1.348368701D+04 3.852218580D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10366.305
-3.869662480D+07 1.023344994D+05-8.961551600D+01 3.706144970D-02-4.137638740D-06
-2.725018591D-10 5.248188110D-14 -6.517918180D+05 7.029109520D+02
P Hf:Cox,1989. Martin,W.C.,1985. Gordon,1999.
3 g 5/97 P 1.00 0.00 0.00 0.00 0.00 0 30.9737610 316500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
5.040866570D+01-7.639418650D-01 2.504563992D+00-1.381689958D-05 2.245585515D-08
-1.866399889D-11 6.227063395D-15 3.732421910D+04 5.359303481D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.261794642D+06-4.559838190D+03 8.918079310D+00-4.381401460D-03 1.454286224D-06
-2.030782763D-10 1.021022887D-14 6.541723960D+04-3.915974795D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-2.215392545D+07-4.566911180D+04 2.837245428D+01-4.483244040D-03 3.579413080D-07
-1.255311557D-11 1.590290483D-16 3.370905760D+05-2.056960928D+02
P+ Martin,W.C.,1985. Gordon,1999.
3 g 4/97 P 1.00E -1.00 0.00 0.00 0.00 0 30.9732124 1336453.460
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8141.860
-7.316908110D+04 9.627979140D+02-3.693938050D-01 4.766778340D-03-4.574768580D-06
2.371262331D-09-5.131314900D-13 1.549406849D+05 2.376640762D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8141.860
-5.594249360D+05 1.722576545D+03 8.430381090D-01 6.287368940D-04-6.317195460D-08
-1.810842484D-12 4.318112570D-16 1.490493431D+05 1.845275207D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8141.860
1.362531054D+07-8.717502380D+03 4.747426280D+00-1.620871933D-04-3.935548100D-10
4.845613020D-13-7.448402970D-18 2.284649718D+05-1.346454894D+01
P- Hotop,1985. Gordon,1999.
3 g 4/97 P 1.00E 1.00 0.00 0.00 0.00 0 30.9743096 238826.765
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6747.865
-1.008949093D+04 1.826468403D+02 1.962456304D+00 9.197377540D-04-9.214998630D-07
5.012872360D-10-1.142677121D-13 2.703082432D+04 9.478137822D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6747.865
1.543488016D+04 9.495009340D+00 2.493170861D+00 2.700167711D-06-5.949210390D-10
6.823766290D-14-3.166959910D-18 2.797572693D+04 6.246793872D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6747.865
1.724147889D+03 1.074832503D+01 2.497654940D+00 2.655333078D-07-1.642839012D-11
5.268015350D-16-6.849362660D-21 2.795482976D+04 6.215849262D+00
PCL Gurvich,1989 pt1 p431 pt2 p282.
2 tpis89 P 1.00CL 1.00 0.00 0.00 0.00 0 66.4267610 134615.112
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9291.112
3.488861700D+04-5.603119340D+02 6.264568480D+00-3.183364370D-03 3.495326840D-06
-2.091034291D-09 5.418758600D-13 1.774653764D+04-8.074572148D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9291.112
-3.471681510D+05 9.935557930D+02 3.399430270D+00 4.019711700D-04 8.295588390D-08
-3.090212484D-11 2.106384858D-15 8.433591150D+03 1.064902238D+01
PCL2 Gurvich,1989 pt1 p432 pt2 p283.
2 tpis89 P 1.00CL 2.00 0.00 0.00 0.00 0 101.8797610 -54292.353
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12248.757
5.190084500D+04-1.060904200D+03 1.058549940D+01-6.879917530D-03 7.620773180D-06
-4.530115470D-09 1.116671660D-12 -3.220331180D+03-2.753518359D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12248.757
-8.349833970D+04-2.625249470D+01 7.020361810D+00-8.388768680D-06 1.896784740D-09
-2.214879920D-13 1.041653550D-17 -8.742993680D+03-6.234023190D+00
PCL2- Gurvich,1989 pt1 p433 pt2 p284.
2 tpis89 P 1.00CL 2.00E 1.00 0.00 0.00 0 101.8803096 -356285.253
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12453.247
4.934832770D+04-9.601590540D+02 9.884769700D+00-4.950202950D-03 4.946217870D-06
-2.678675201D-09 6.076723610D-13 -3.998072400D+04-2.413131695D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12453.247
-8.564986760D+04-3.185555940D+01 7.024494960D+00-1.002251172D-05 2.253747944D-09
-2.619657192D-13 1.227059658D-17 -4.503811430D+04-6.721522361D+00
PCL3 Gurvich,1989 pt1 p433 pt2 p285.
2 tpis89 P 1.00CL 3.00 0.00 0.00 0.00 0 137.3327610 -289500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15932.466
7.717745470D+04-1.617650860D+03 1.536080470D+01-1.011077050D-02 1.103408340D-05
-6.476121020D-09 1.579151140D-12 -2.955893640D+04-5.244338688D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15932.466
-1.333076930D+05-4.145883210D+01 1.003186060D+01-1.301946160D-05 2.922916890D-09
-3.391869240D-13 1.586425530D-17 -3.800336680D+04-2.050737678D+01
PCL5 Gurvich,1989 pt1 p435 pt2 p286.
2 tpis89 P 1.00CL 5.00 0.00 0.00 0.00 0 208.2387610 -376000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23305.466
1.029070200D+05-2.515707460D+03 2.430114970D+01-1.564610690D-02 1.709873030D-05
-1.006011430D-08 2.460158790D-12 -3.722582370D+04-9.816335170D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23305.466
-2.255906890D+05-6.938542820D+01 1.605359630D+01-2.202156960D-05 4.971392290D-09
-5.799860050D-13 2.725970770D-17 -5.034234220D+04-4.872454870D+01
PF Gurvich,1989 pt1 p425 pt2 p276.
2 tpis89 P 1.00F 1.00 0.00 0.00 0.00 0 49.9721642 -47944.793
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8891.107
2.227866728D+04-1.727508706D+02 3.085366934D+00 5.489718230D-03-8.247972540D-06
5.868882910D-09-1.617252113D-12 -5.809279650D+03 7.709718850D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8891.107
-1.132572282D+06 3.200038550D+03 7.780502370D-01 1.969518902D-03-4.365818970D-07
5.243648570D-11-2.618755712D-15 -2.766773009D+04 2.759312302D+01
PF+ Chase,1998 p1086.
3 j 6/77 P 1.00F 1.00E -1.00 0.00 0.00 0 49.9716156 901518.000
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9429.848
-1.779138157D+04 3.909991270D+02 1.257434156D+00 7.861363750D-03-9.342312680D-06
5.630915650D-09-1.370669924D-12 1.054873882D+05 1.901676576D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9429.848
-4.011525180D+04-1.597504413D+02 4.621397480D+00-2.378072183D-05 1.431831329D-08
-2.300109157D-12 1.694069882D-16 1.078633756D+05-4.072343950D-02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9429.848
-2.628686921D+07 1.300876535D+04 2.564713658D+00 3.269650350D-05 1.867188317D-08
-9.293307220D-13 1.456723674D-17 -2.640503508D+02 1.921588661D+01
PF- Chase,1998 p1087.
3 j 6/77 P 1.00F 1.00E 1.00 0.00 0.00 0 49.9727128 -164046.000
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9515.643
7.705210950D+03-1.152432706D+02 4.254952310D+00 1.163521526D-03-1.627947259D-06
1.084382815D-09-2.809490132D-13 -2.035558966D+04 2.217923793D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9515.643
-1.303793388D+05 2.715526386D+02 4.137619810D+00 2.728610614D-04-7.644416250D-08
1.182073001D-11-6.083906640D-16 -2.290799827D+04 3.748526100D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9515.643
-2.589702487D+07 2.274827883D+04-2.913204829D+00 1.134351740D-03-7.184766090D-08
2.254067861D-12-2.781608692D-17 -1.940751937D+05 6.372454240D+01
PFCL Gurvich,1989 pt1 p437 pt2 p288.
2 tpis89 P 1.00F 1.00CL 1.00 0.00 0.00 0 85.4251642 -283184.119
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11630.381
5.490188530D+04-8.658679480D+02 7.944467650D+00 9.503779100D-04-3.339090210D-06
3.023977817D-09-9.450377540D-13 -3.132843217D+04-1.440426886D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11630.381
-1.282143211D+05-9.739043550D+01 7.072661660D+00-2.903614134D-05 6.408504490D-09
-7.338993770D-13 3.396723170D-17 -3.600649260D+04-7.626493035D+00
PFCL- Gurvich,1989 pt1 p438 pt2 p289.
2 tpis89 P 1.00F 1.00CL 1.00E 1.00 0.00 0 85.4257128 -529269.107
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11742.793
8.934336850D+04-1.266972513D+03 9.912194530D+00-3.877928300D-03 3.036692411D-06
-1.296559380D-09 2.324226580D-13 -5.894505710D+04-2.617050460D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11742.793
-1.231565150D+05-9.765861110D+01 7.074029570D+00-2.997070692D-05 6.685280620D-09
-7.722262200D-13 3.599382300D-17 -6.558817220D+04-8.208878059D+00
PFCL2 Gurvich,1989 pt1 p440 pt2 p292.
2 tpis89 P 1.00F 1.00CL 2.00 0.00 0.00 0 120.8781642 -511925.340
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14867.760
8.266560560D+04-1.512138928D+03 1.303404207D+01-2.903247162D-03 7.836652970D-07
6.458340660D-10-3.737641820D-13 -5.644237870D+04-4.100905668D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14867.760
-1.864589813D+05-1.148004379D+02 1.008599754D+01-3.447456520D-05 7.627972010D-09
-8.753097430D-13 4.057788350D-17 -6.450472190D+04-2.174054563D+01
PFCL4 Gurvich,1989 pt1 p442 pt2 p295.
2 tpis89 P 1.00F 1.00CL 4.00 0.00 0.00 0 191.7841642 -635016.440
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21733.860
1.412071573D+05-2.882471080D+03 2.387345233D+01-1.239510207D-02 1.141290085D-05
-5.705483820D-09 1.195229703D-12 -6.613478650D+04-9.859693550D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21733.860
-2.954375880D+05-1.325154294D+02 1.610005380D+01-4.035359170D-05 8.971130740D-09
-1.033288810D-12 4.804468350D-17 -8.135719400D+04-5.062403920D+01
PF2 Gurvich,1989 pt1 p426 pt2 p277.
2 tpis89 P 1.00F 2.00 0.00 0.00 0.00 0 68.9705674 -513103.659
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11081.447
5.524765720D+04-6.280517800D+02 5.137437920D+00 9.120673350D-03-1.468773760D-05
1.081268450D-08-3.064944490D-12 -5.977541470D+04-1.689589472D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11081.447
-1.708467120D+05-1.692051540D+02 7.125491600D+00-4.990852850D-05 1.097335230D-08
-1.252870260D-12 5.784791140D-17 -6.338295840D+04-1.041715673D+01
PF2- Gurvich,1989 pt1 p426 pt2 p278.
2 tpis89 P 1.00F 2.00E 1.00 0.00 0.00 0 68.9711160 -709337.947
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11044.553
1.404793057D+05-1.699945753D+03 1.036823971D+01-3.599587690D-03 1.961925800D-06
-3.829329870D-10-3.375549520D-14 -7.810434510D+04-3.217375182D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11044.553
-1.653976056D+05-1.640604822D+02 7.124091520D+00-5.015431400D-05 1.117302152D-08
-1.289308601D-12 6.004706670D-17 -8.700223320D+04-1.109074866D+01
PF2CL Gurvich,1989 pt1 p439 pt2 p290.
2 tpis89 P 1.00F 2.00CL 1.00 0.00 0.00 0 104.4235674 -735076.682
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13876.318
8.397590160D+04-1.318075883D+03 1.017203515D+01 5.571231220D-03-1.100920478D-05
8.726383180D-09-2.567714099D-12 -8.381656170D+04-2.766012951D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13876.318
-2.409281185D+05-2.033484670D+02 1.015150769D+01-6.048367310D-05 1.333942001D-08
-1.526772528D-12 7.063339180D-17 -9.101110590D+04-2.417825549D+01
PF2CL3 Gurvich,1989 pt1 p442 pt2 p294.
2 tpis89 P 1.00F 2.00CL 3.00 0.00 0.00 0 175.3295674 -878744.962
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20165.238
1.842099543D+05-3.334402390D+03 2.388510873D+01-1.030943175D-02 7.356504220D-06
-2.498621785D-09 2.513997646D-13 -9.279549890D+04-1.027991502D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20165.238
-3.655272540D+05-2.029694160D+02 1.615238015D+01-6.118796570D-05 1.355610375D-08
-1.557129640D-12 7.224359970D-17 -1.104941533D+05-5.387308191D+01
PF3 Gurvich,1989 pt1 p427 pt2 p279.
2 tpis89 P 1.00F 3.00 0.00 0.00 0.00 0 87.9689706 -957400.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12936.493
8.480984480D+04-1.102340691D+03 7.160715110D+00 1.438278338D-02-2.318137222D-05
1.702244315D-08-4.810991950D-12 -1.111837495D+05-1.457652362D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12936.493
-2.957040675D+05-2.997689931D+02 1.022297023D+01-8.890263450D-05 1.958901359D-08
-2.240491075D-12 1.035952523D-16 -1.173743464D+05-2.777419177D+01
PF3CL2 Gurvich,1989 pt1 p441 pt2 p293.
2 tpis89 P 1.00F 3.00CL 2.00 0.00 0.00 0 158.8749706 -1122022.916
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19047.184
1.822497206D+05-3.089610245D+03 2.067710388D+01-1.168732391D-03-5.020540740D-06
5.804573350D-09-1.965367906D-12 -1.228120667D+05-8.627977355D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19047.184
-4.223838050D+05-3.207965220D+02 1.624013000D+01-9.623655310D-05 2.129279712D-08
-2.443515401D-12 1.132904350D-16 -1.392642151D+05-5.531285745D+01
PF4CL Gurvich,1989 pt1 p439 pt2 p291.
2 tpis89 P 1.00F 4.00CL 1.00 0.00 0.00 0 142.4203738 -1364909.395
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18320.605
1.804240323D+05-2.741096618D+03 1.680192838D+01 9.919315250D-03-2.025636171D-05
1.617979147D-08-4.772611520D-12 -1.532382587D+05-6.679119965D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18320.605
-4.781140040D+05-4.264812830D+02 1.631812121D+01-1.271374903D-04 2.806715254D-08
-3.215166300D-12 1.488512118D-16 -1.680488362D+05-5.735844805D+01
PF5 Gurvich,1989 pt1 p429 pt2 p280.
2 tpis89 P 1.00F 5.00 0.00 0.00 0.00 0 125.9657770 -1593300.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16537.609
1.855778473D+05-2.436979828D+03 1.201012406D+01 2.339343049D-02-3.813944410D-05
2.796136412D-08-7.870704880D-12 -1.814566568D+05-4.486488740D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16537.609
-5.668727840D+05-6.677917910D+02 1.649789569D+01-1.990099440D-04 4.395007100D-08
-5.036849540D-12 2.332945909D-16 -1.944321623D+05-6.261721040D+01
PH Gurvich,1989 pt1 p420 pt2 p272.
2 tpis89 P 1.00H 1.00 0.00 0.00 0.00 0 31.9817010 230752.104
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8648.104
2.273633198D+04-3.972674060D+02 6.233697660D+00-9.181784600D-03 1.523328123D-05
-1.085888585D-08 2.929760547D-12 2.852768404D+04-1.095191197D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8648.104
7.814730650D+05-3.038451204D+03 7.467481020D+00-1.837522255D-03 7.165947700D-07
-1.142128853D-10 6.175410560D-15 4.536260180D+04-2.467298140D+01
PH2 Gurvich,1989 pt1 p422 pt2 p273.
2 tpis89 P 1.00H 2.00 0.00 0.00 0.00 0 32.9896410 119553.470
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9981.571
1.555268372D+04-1.841602025D+02 4.895896040D+00-3.495436600D-03 1.053418945D-05
-8.377562920D-09 2.270766150D-12 1.409839468D+04-2.210564792D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9981.571
1.127884913D+06-4.715238250D+03 1.021498300D+01-1.167573820D-03 2.150542671D-07
-1.624213739D-11 3.766225240D-16 4.183074630D+04-4.231623250D+01
PH2- Gurvich,1989 pt1 p423 pt2 p274.
2 tpis89 P 1.00H 2.00E 1.00 0.00 0.00 0 32.9901896 -9265.418
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9960.082
6.950684490D+04-7.719162910D+02 7.383537620D+00-8.522947210D-03 1.474476507D-05
-9.847160810D-09 2.413107871D-12 1.582295850D+03-1.761306419D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9960.082
1.382525815D+06-5.213400670D+03 1.021694832D+01-1.116316349D-03 2.215004171D-07
-2.338005187D-11 1.015580932D-15 2.990683733D+04-4.378711585D+01
PH3 Chase,1998 p1348.
2 j 6/62 P 1.00H 3.00 0.00 0.00 0.00 0 33.9975810 5439.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10136.622
-6.384325340D+03 4.057567410D+02-1.565680086D-01 1.338380613D-02-8.275391430D-06
3.024360831D-09-6.421764630D-13 -2.159842124D+03 2.385561888D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10136.622
1.334801106D+06-6.725463520D+03 1.445857073D+01-1.639736883D-03 3.409218570D-07
-3.736272080D-11 1.672947506D-15 3.910325710D+04-7.198781190D+01
PN Gurvich,1989 pt1 p446 pt2 p299.
2 tpis89 P 1.00N 1.00 0.00 0.00 0.00 0 44.9804610 171487.305
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8702.105
-5.103203840D+04 8.202926680D+02-1.392772765D+00 1.287989789D-02-1.401425371D-05
7.775633460D-09-1.751539330D-12 1.573226520D+04 3.251070633D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8702.105
-2.495625593D+05 1.760438830D+02 4.144121960D+00 2.478018097D-04-5.674896300D-08
4.263645120D-12 3.063920924D-16 1.770317267D+04 1.325517397D+00
PO Gurvich,1989 pt1 p404 pt2 p258.
2 tpis89 P 1.00O 1.00 0.00 0.00 0.00 0 46.9731610 -27857.687
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9390.113
-6.845754060D+04 1.141295708D+03-2.779556060D+00 1.678458047D-02-1.974879516D-05
1.192602320D-08-2.927460912D-12 -9.847745040D+03 4.184328297D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9390.113
-3.366667440D+05 6.229355840D+02 3.565605460D+00 6.516620720D-04-2.061770841D-07
3.184413230D-11-1.573691908D-15 -8.939790390D+03 6.954859188D+00
PO- Gurvich,1989 pt1 p407 pt2 p259.
2 tpis89 P 1.00O 1.00E 1.00 0.00 0.00 0 46.9737096 -140067.094
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8778.106
5.434346320D+04-4.123623550D+02 3.746483880D+00 3.858636470D-03-5.963343040D-06
4.278286360D-09-1.139722989D-12 -1.555810937D+04 3.404436468D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8778.106
-8.480294780D+02 3.470544870D+02 2.877890167D+00 1.622182445D-03-4.870190990D-07
6.645752270D-11-3.395703760D-15 -1.987209540D+04 1.075444355D+01
POCL3 Gurvich,1989 pt1 p436 pt2 p287.
2 tpis89 P 1.00O 1.00CL 3.00 0.00 0.00 0 153.3321610 -568400.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17715.956
4.793788160D+04-1.270388280D+03 1.367716460D+01 1.082672100D-03-1.736104060D-06
8.460890640D-10-1.174661330D-13 -6.507571880D+04-4.314705941D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17715.956
-2.185937970D+05-5.080269680D+02 1.337784650D+01-1.510731050D-04 3.340986780D-08
-3.835329760D-12 1.779329880D-16 -7.009315090D+04-3.984746301D+01
POFCL2 Gurvich,1989 pt1 p444 pt2 p297.
2 tpis89 P 1.00O 1.00F 1.00CL 2.00 0.00 0 136.8775642 -793889.312
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16454.188
4.694061560D+04-1.069242600D+03 1.071284279D+01 9.491183300D-03-1.306412424D-05
8.426906020D-09-2.140294969D-12 -9.274894990D+04-2.815077719D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16454.188
-2.707647503D+05-6.556502270D+02 1.348668421D+01-1.942765035D-04 4.291184490D-08
-4.921844800D-12 2.282079808D-16 -9.654392140D+04-4.164963494D+01
POF2CL Gurvich,1989 pt1 p443 pt2 p296.
2 tpis89 P 1.00O 1.00F 2.00CL 1.00 0.00 0 120.4229674 -1022607.040
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14896.360
5.226438160D+04-9.691037700D+02 7.963635980D+00 1.755599796D-02-2.398693997D-05
1.572376747D-08-4.079746000D-12 -1.202656893D+05-1.593967075D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14896.360
-3.347086590D+05-8.176104810D+02 1.360664320D+01-2.420426112D-04 5.343712720D-08
-6.126461350D-12 2.839570116D-16 -1.233401194D+05-4.496103437D+01
POF3 Gurvich,1989 pt1 p430 pt2 p281.
2 tpis89 P 1.00O 1.00F 3.00 0.00 0.00 0 103.9683706 -1252000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14166.349
2.966030710D+04-4.276705750D+02 3.669146100D+00 2.839493780D-02-3.768318000D-05
2.449104540D-08-6.341972870D-12 -1.501124530D+05 5.160417996D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14166.349
-3.690602420D+05-1.005552540D+03 1.374529940D+01-2.971037110D-04 6.554526640D-08
-7.509987330D-12 3.478969910D-16 -1.499761730D+05-4.882214181D+01
PO2 Gurvich,1989 pt1 p408 pt2 p260.
2 tpis89 P 1.00O 2.00 0.00 0.00 0.00 0 62.9725610 -281527.237
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10512.866
-6.372698220D+04 1.036741044D+03-2.877797967D+00 2.278134083D-02-2.567920328D-05
1.465060412D-08-3.387996700D-12 -3.993544720D+04 4.425309380D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10512.866
4.926210990D+05-2.605465745D+03 9.517605610D+00-1.180371565D-03 2.532912819D-07
-1.789964539D-11 1.800381054D-16 -2.028884763D+04-2.969743125D+01
PO2- Gurvich,1989 pt1 p409 pt2 p261.
2 tpis89 P 1.00O 2.00E 1.00 0.00 0.00 0 62.9731096 -597623.751
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10613.749
2.702423135D+04 2.939956284D+01 1.162686114D+00 1.599897972D-02-1.979229263D-05
1.208847527D-08-2.956640480D-12 -7.285946270D+04 1.963118182D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10613.749
1.628679152D+06-5.989199980D+03 1.369318836D+01-3.623843790D-03 9.488198340D-07
-1.040308759D-10 4.019033660D-15 -3.685959500D+04-5.956796220D+01
PS Gurvich,1989 pt1 p444 pt2 p298.
2 tpis89 P 1.00S 1.00 0.00 0.00 0.00 0 63.0387610 150431.316
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9616.116
-7.689786800D+02-4.637824070D+01 4.104649170D+00 1.555262273D-03-2.315757288D-06
1.661425178D-09-4.631238400D-13 1.707875808D+04 4.230652171D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9616.116
-2.702729081D+05 8.883548220D+02 3.169190120D+00 1.022480817D-03-3.803740480D-07
7.019861880D-11-4.269122310D-15 1.121510462D+04 1.147334049D+01
P2 Gurvich,1989 pt1 p398 pt2 p255.
2 tpis89 P 2.00 0.00 0.00 0.00 0.00 0 61.9475220 144000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8904.107
3.053922510D+04-3.246177590D+02 4.022463810D+00 3.232094790D-03-5.511052450D-06
4.195572930D-09-1.215032180D-12 1.796910870D+04 1.645350331D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8904.107
-7.806936490D+05 2.307910870D+03 1.411743130D+00 2.108237420D-03-7.360856620D-07
1.259360120D-10-7.079752490D-15 1.329824740D+03 2.169741365D+01
P2O3 Gurvich,1989 pt1 p410 pt2 p262.
2 tpis89 P 2.00O 3.00 0.00 0.00 0.00 0 109.9457220 -684645.274
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16094.881
-6.645753890D+04 7.580900550D+02 9.888436770D-01 2.859878730D-02-3.231142110D-05
1.834525170D-08-4.212489300D-12 -8.820036740D+04 2.689914458D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16094.881
-2.175344110D+05-1.369902000D+03 1.401142960D+01-4.023856960D-04 8.868345780D-08
-1.015657280D-11 4.704356060D-16 -7.922757000D+04-4.739487232D+01
P2O4 Gurvich,1989 pt1 p411 pt2 p263.
2 tpis89 P 2.00O 4.00 0.00 0.00 0.00 0 125.9451220 -933754.627
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17325.580
-4.376091260D+04 4.905102830D+02 9.643649370D-01 3.886073580D-02-4.675509220D-05
2.812625630D-08-6.824406100D-12 -1.168997790D+05 2.379582767D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17325.580
-3.670114860D+05-1.638423730D+03 1.721188610D+01-4.826580150D-04 1.064461900D-07
-1.219610070D-11 5.650654580D-16 -1.090435930D+05-6.714276593D+01
P2O5 Gurvich,1989 pt1 p411 pt2 p264.
2 tpis89 P 2.00O 5.00 0.00 0.00 0.00 0 141.9445220 -1124370.354
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22049.905
-2.999159220D+04-4.594506590D+01 6.987486830D+00 2.883302970D-02-3.104509530D-05
1.643868680D-08-3.467942300D-12 -1.381901400D+05-3.400572711D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22049.905
-3.247080160D+05-2.016975080D+03 2.048699340D+01-5.910641150D-04 1.301993020D-07
-1.490682940D-11 6.903573410D-16 -1.306290160D+05-8.031642952D+01
P3 Gurvich,1989 pt1 p402 pt2 p256.
2 tpis89 P 3.00 0.00 0.00 0.00 0.00 0 92.9212830 210000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12005.602
4.693358950D+04-8.643589320D+02 8.734247530D+00 1.094534560D-05-1.998573320D-06
2.096750510D-09-6.922889710D-13 2.774847340D+04-2.063587261D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12005.602
-1.253513060D+05-8.306734620D+01 7.561956770D+00-2.474403950D-05 5.457276930D-09
-6.244660570D-13 2.887724220D-17 2.308722280D+04-1.228310621D+01
P3O6 Gurvich,1989 pt1 p412 pt2 p265.
2 tpis89 P 3.00O 6.00 0.00 0.00 0.00 0 188.9176830 -1575681.029
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23439.282
2.014493813D+05-3.053488073D+03 1.602114098D+01 4.316889900D-02-6.376544260D-05
4.422867920D-08-1.200020334D-11 -1.776503811D+05-6.556267890D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23439.282
-8.787968100D+05-1.651988071D+03 2.772258397D+01-4.859326700D-04 1.067867708D-07
-1.218015776D-11 5.614911960D-16 -1.909165548D+05-1.220665277D+02
P4 Gurvich,1989 pt1 p402 pt2 p257.
2 tpis89 P 4.00 0.00 0.00 0.00 0.00 0 123.8950440 58900.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14108.648
1.205141850D+05-2.345711790D+03 1.773946550D+01-1.456314970D-02 1.587594090D-05
-9.314710310D-09 2.271491670D-12 1.608846480D+04-7.088590647D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14108.648
-1.858705860D+05-6.284546890D+01 1.004844880D+01-1.987668850D-05 4.482408440D-09
-5.226103670D-13 2.455791290D-17 3.848210920D+03-2.477297797D+01
P4O6 Gurvich,1989 pt1 p413 pt2 p266.
2 tpis89 P 4.00O 6.00 0.00 0.00 0.00 0 219.8914440 -1606000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24797.523
3.760894750D+05-5.685832620D+03 2.914225450D+01 2.251532120D-02-4.510269630D-05
3.588312690D-08-1.057572060D-11 -1.688562480D+05-1.451359851D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24797.523
-1.008997240D+06-8.872753990D+02 2.866064830D+01-2.636018940D-04 5.810940720D-08
-6.648086960D-12 3.074391930D-16 -1.997138900D+05-1.281853821D+02
P4O7 Gurvich,1989 pt1 p414 pt2 p267.
2 tpis89 P 4.00O 7.00 0.00 0.00 0.00 0 235.8908440 -1984448.045
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26372.317
3.218586960D+05-4.871444730D+03 2.454417068D+01 4.015509550D-02-6.524197150D-05
4.756554180D-08-1.332975491D-11 -2.184517427D+05-1.181504792D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26372.317
-1.102947375D+06-1.511077128D+03 3.210979500D+01-4.371803760D-04 9.516639610D-08
-1.075204176D-11 4.911025680D-16 -2.429096540D+05-1.473140859D+02
P4O8 Gurvich,1989 pt1 p415 pt2 p268.
2 tpis89 P 4.00O 8.00 0.00 0.00 0.00 0 251.8902440 -2302214.078
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27946.336
2.719326942D+05-4.118600390D+03 2.028714235D+01 5.685416990D-02-8.400739630D-05
5.823389060D-08-1.578647160D-11 -2.604539703D+05-9.407162070D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27946.336
-1.173177311D+06-2.200632995D+03 3.563010130D+01-6.489849740D-04 1.429623989D-07
-1.635821725D-11 7.571070760D-16 -2.783843144D+05-1.679636960D+02
P4O9 Gurvich,1989 pt1 p416 pt2 p269.
2 tpis89 P 4.00O 9.00 0.00 0.00 0.00 0 267.8896440 -2613979.111
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 29521.355
2.199916395D+05-3.336464940D+03 1.586413106D+01 7.402452330D-02-1.034835052D-04
6.944438320D-08-1.840733450D-11 -3.018742692D+05-6.997967670D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 29521.355
-1.233696783D+06-2.917032808D+03 3.917757110D+01-8.736402980D-04 1.937914895D-07
-2.230510118D-11 1.037248818D-15 -3.129637516D+05-1.897176420D+02
P4O10 Gurvich,1989 pt1 p419 pt2 p271.
2 tpis89 P 4.00O 10.00 0.00 0.00 0.00 0 283.8890440 -2906223.447
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 31096.553
1.670142268D+05-2.540243300D+03 1.136853403D+01 9.137812160D-02-1.231990626D-04
8.081032230D-08-2.106787011D-11 -3.410151910D+05-4.643431340D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 31096.553
-1.337201132D+06-3.516382330D+03 4.260403310D+01-1.037406404D-03 2.287613089D-07
-2.620219946D-11 1.213529528D-15 -3.459515050D+05-2.115498906D+02
Pb Hf:Gurvich,1991. Moore,1971. Moore,1970a. Gordon,1999.
3 g 8/97 PB 1.00 0.00 0.00 0.00 0.00 0 207.2000000 195200.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.213382285D+03-1.906116019D+01 2.619299546D+00-3.829519610D-04 6.688180450D-07
-6.061231080D-10 2.240022429D-13 2.282096238D+04 6.201369200D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-9.084313070D+06 2.672673180D+04-2.626244039D+01 1.358282305D-02-2.685523566D-06
2.352432800D-10-7.324114532D-15 -1.481650666D+05 2.154011624D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
5.325474970D+08-2.751419152D+05 6.303031930D+01-6.813672740D-03 4.447489610D-07
-1.519361678D-11 2.043475665D-16 2.243651683D+06-5.225649900D+02
Pb+ Moore1971. Moore,1970a. Gordon,1999.
3 g10/97 PB 1.00E -1.00 0.00 0.00 0.00 0 207.1994514 916996.528
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
9.486689040D+00-1.134955793D-01 2.500549799D+00-1.382464681D-06 1.906022991D-09
-1.368396828D-12 4.003528117D-16 1.095438901D+05 7.538855900D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.320690183D+06-4.096048010D+03 7.389101510D+00-2.807751909D-03 7.830991650D-07
-9.310600910D-11 4.016371727D-15 1.354347306D+05-2.722020908D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
4.101539500D+08-2.538072503D+05 6.239804790D+01-6.542962120D-03 3.507316530D-07
-8.114133770D-12 5.908352630D-17 2.122867468D+06-5.163550210D+02
Pb- Hotop,1985. Gordon,1999.
3 g 9/97 PB 1.00E 1.00 0.00 0.00 0.00 0 207.2005486 153881.928
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.776226140D+04 8.235132100D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.776226140D+04 8.235132100D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.776226140D+04 8.235132100D+00
PbBr Gurvich,1991 pt1 p434 pt2 p360.
2 tpis91 PB 1.00BR 1.00 0.00 0.00 0.00 0 287.1040000 64821.322
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10146.122
-2.393487988D+03-4.576591210D+01 4.692608280D+00-3.845290630D-04 5.888213500D-07
-4.084792890D-10 1.202515201D-13 6.662434770D+03 5.991705510D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10146.122
-2.581831670D+06 7.143490760D+03-2.658193640D+00 3.107722260D-03-4.631381540D-07
1.095529211D-11 1.508555088D-15 -3.970440980D+04 5.959238650D+01
PbBr2 Gurvich,1991 pt1 p437 pt2 p362.
2 tpis91 PB 1.00BR 2.00 0.00 0.00 0.00 0 367.0080000 -103908.063
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15021.937
-6.172766360D+03-6.783207630D+01 7.273156140D+00-5.990596120D-04 7.358634610D-07
-4.743604810D-10 1.246922291D-13 -1.427890796D+04-6.987992150D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15021.937
-1.320421479D+04-1.143074947D+00 7.000972540D+00-4.284471610D-07 1.018044861D-10
-1.234016791D-14 5.971337650D-19 -1.462213750D+04 8.868582650D-01
PbBr3 Gurvich,1991 pt1 p438 pt2 p363.
2 tpis91 PB 1.00BR 3.00 0.00 0.00 0.00 0 446.9120000 -104010.957
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19968.643
-1.164424250D+04-1.555151665D+02 1.062317321D+01-1.361947117D-03 1.668738791D-06
-1.073686019D-09 2.818250340D-13 -1.478208304D+04-1.443758579D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19968.643
-2.787930766D+04-2.633265111D+00 1.000223199D+01-9.807761410D-07 2.326232632D-10
-2.815994460D-14 1.361283735D-18 -1.556981182D+04-1.081765474D+01
PbBr4 Gurvich,1991 pt1 p439 pt2 p364.
2 tpis91 PB 1.00BR 4.00 0.00 0.00 0.00 0 526.8160000 -182435.511
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25871.489
-1.176458199D+04-2.567166983D+02 1.402223292D+01-2.224117068D-03 2.716201994D-06
-1.743340164D-09 4.567359750D-13 -2.462125551D+04-2.882020750D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25871.489
-3.880216030D+04-4.382933770D+00 1.300369823D+01-1.620061335D-06 3.834130880D-10
-4.633967180D-14 2.237427066D-18 -2.592327065D+04-2.287710636D+01
PbCL Gurvich,1991 pt1 p427 pt2 p355.
2 tpis91 PB 1.00CL 1.00 0.00 0.00 0.00 0 242.6530000 8819.118
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9787.118
-2.902700749D+03-8.293459710D+01 4.714824480D+00-1.931473228D-04 9.105579020D-08
5.419385230D-11-3.284969700D-14 1.254460217D+02 4.323194455D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9787.118
-3.854285530D+05 6.922197500D+02 4.509971240D+00-6.853421300D-04 5.087395500D-07
-9.772753810D-11 5.807471580D-15 -5.269684720D+03 6.646491015D+00
PbCL2 Gurvich,1991 pt1 p430 pt2 p357.
2 tpis91 PB 1.00CL 2.00 0.00 0.00 0.00 0 278.1060000 -175547.471
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14002.529
2.830580143D+03-3.134256659D+02 8.212827290D+00-2.585096173D-03 3.109456077D-06
-1.972978208D-09 5.123542480D-13 -2.167569042D+04-9.219412244D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14002.529
-3.149192744D+04-5.565477580D+00 7.004599540D+00-1.986025455D-06 4.651719590D-10
-5.579137010D-14 2.678143570D-18 -2.327439309D+04-2.140739285D+00
PbCL3 Gurvich,1991 pt1 p432 pt2 p358.
2 tpis91 PB 1.00CL 3.00 0.00 0.00 0.00 0 313.5590000 -177653.507
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18255.693
8.623588970D+02-5.253152750D+02 1.203336337D+01-4.335184980D-03 5.215698350D-06
-3.310022380D-09 8.596970610D-13 -2.180576379D+04-2.694206962D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18255.693
-5.664412790D+04-9.329514790D+00 1.000771099D+01-3.329727570D-06 7.799330810D-10
-9.354606100D-14 4.490589700D-18 -2.448508643D+04-1.507490870D+01
PbCL4 Gurvich,1991 pt1 p433 pt2 p359.
2 tpis91 PB 1.00CL 4.00 0.00 0.00 0.00 0 349.0120000 -327430.362
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23449.438
1.739405796D+04-8.902139320D+02 1.637565058D+01-7.088992260D-03 8.432567340D-06
-5.305309390D-09 1.368671294D-12 -3.888215620D+04-4.850133784D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23449.438
-8.266679560D+04-1.639486405D+01 1.301336711D+01-5.716141400D-06 1.329368390D-09
-1.585922492D-13 7.581763610D-18 -4.343984220D+04-2.874559263D+01
PbF Gurvich,1991 pt1 p419 pt2 p350.
2 tpis91 PB 1.00F 1.00 0.00 0.00 0.00 0 226.1984032 -98867.789
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9268.111
2.684864255D+04-4.751725640D+02 6.019644370D+00-2.718531008D-03 2.942882954D-06
-1.687543009D-09 4.086122080D-13 -1.079038653D+04-4.983048840D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9268.111
-4.734202750D+05 1.027785283D+03 3.888658730D+00-1.649813448D-04 2.931163260D-07
-5.766459650D-11 3.247486190D-15 -2.026165076D+04 9.319483890D+00
PbF2 Gurvich,1991 pt1 p424 pt2 p352.
2 tpis91 PB 1.00F 2.00 0.00 0.00 0.00 0 245.1968064 -443427.390
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12572.610
5.920552280D+04-1.052529292D+03 1.028969284D+01-5.876346270D-03 6.102333130D-06
-3.424792640D-09 8.024025420D-13 -4.999050000D+04-2.525115478D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12572.610
-8.505899770D+04-3.074244334D+01 7.023346040D+00-9.455183590D-06 2.108489027D-09
-2.434212002D-13 1.133872429D-17 -5.552236770D+04-5.496073220D+00
PbF3 Gurvich,1991 pt1 p425 pt2 p353.
2 tpis91 PB 1.00F 3.00 0.00 0.00 0.00 0 264.1952096 -489572.613
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15535.047
8.553090870D+04-1.731036694D+03 1.556596150D+01-1.022225919D-02 1.089984998D-05
-6.269998820D-09 1.502616508D-12 -5.300335670D+04-5.335733480D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15535.047
-1.459704258D+05-4.820396430D+01 1.003685845D+01-1.501095764D-05 3.362474990D-09
-3.896020710D-13 1.820152103D-17 -6.206869590D+04-2.006978661D+01
PbF4 Gurvich,1991 pt1 p426 pt2 p354.
2 tpis91 PB 1.00F 4.00 0.00 0.00 0.00 0 283.1936128 -799925.173
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19626.227
1.309963563D+05-2.307299499D+03 1.945201440D+01-1.024522729D-02 9.395874960D-06
-4.626894150D-09 9.450881430D-13 -8.804147460D+04-7.524645820D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19626.227
-2.132616322D+05-8.578621950D+01 1.306428551D+01-2.575563598D-05 5.693324590D-09
-6.526219550D-13 3.022341960D-17 -1.002908979D+05-3.590240280D+01
PbI Gurvich,1991 pt1 p440 pt2 p365.
2 tpis91 PB 1.00I 1.00 0.00 0.00 0.00 0 334.1044700 108904.324
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10339.124
-2.717334060D+03-1.542541996D+01 4.565327900D+00-1.061215818D-04 2.414841342D-07
-1.876070301D-10 6.460614270D-14 1.181864978D+04 7.669802670D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10339.124
-3.901070250D+06 1.147976718D+04-8.176109020D+00 6.523454700D-03-1.522611682D-06
1.626692202D-10-6.553328880D-15 -6.154433690D+04 9.938404970D+01
PbI2 Gurvich,1991 pt1 p443 pt2 p367.
2 tpis91 PB 1.00I 2.00 0.00 0.00 0.00 0 461.0089400 -10252.630
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15247.370
-5.904986720D+03-4.833307030D+01 7.195438030D+00-4.298600090D-04 5.291412070D-07
-3.416402820D-10 8.991341920D-14 -3.107780155D+03 1.324773678D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15247.370
-1.088339477D+04-8.164418370D-01 7.000697300D+00-3.079876763D-07 7.331718140D-11
-8.899193880D-15 4.310712500D-19 -3.352096380D+03 2.458605463D+00
PbI3 Gurvich,1991 pt1 p444 pt2 p368.
2 tpis91 PB 1.00I 3.00 0.00 0.00 0.00 0 587.9134100 21755.412
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21065.012
-1.014996331D+04-5.938078200D+01 1.024073798D+01-5.304694530D-04 6.538623030D-07
-4.225895720D-10 1.113029818D-13 -1.138482403D+02-8.975540500D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21065.012
-1.624229573D+04-1.002945584D+00 1.000085839D+01-3.796679740D-07 9.046751720D-11
-1.098840054D-14 5.325388290D-19 -4.138258930D+02-7.579417110D+00
PbI4 Gurvich,1991 pt1 p445 pt2 p369.
2 tpis91 PB 1.00I 4.00 0.00 0.00 0.00 0 714.8178800 -41226.459
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27520.541
-1.217096972D+04-7.226317440D+01 1.329294204D+01-6.454660900D-04 7.955761850D-07
-5.141632830D-10 1.354188031D-13 -8.528148680D+03-2.010457498D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27520.541
-1.958477744D+04-1.223385179D+00 1.300104732D+01-4.633295690D-07 1.104213978D-10
-1.341397771D-14 6.501706110D-19 -8.893193200D+03-1.840570345D+01
PbO Gurvich,1991 pt1 p413 pt2 p345.
2 tpis91 PB 1.00O 1.00 0.00 0.00 0.00 0 223.1994000 68137.108
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8962.108
3.424025000D+04-4.198050110D+02 4.720306410D+00 1.451061751D-03-3.206035460D-06
2.713956273D-09-8.333275610D-13 9.253186470D+03 4.482891210D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8962.108
2.426996850D+05-1.107731354D+02 3.180684490D+00 1.991815065D-03-1.079782025D-06
2.540990941D-10-1.834652493D-14 8.339391540D+03 1.050920926D+01
PbO2 Gurvich,1991 pt1 p416 pt2 p347.
2 tpis91 PB 1.00O 2.00 0.00 0.00 0.00 0 239.1988000 136152.734
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12250.934
7.071058290D+04-1.076757462D+03 9.401711730D+00-1.003861584D-03-1.233815617D-06
1.858386979D-09-6.834621210D-13 1.999645981D+04-2.503976748D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12250.934
-1.307796670D+05-7.314361450D+01 7.554083410D+00-2.143421561D-05 4.696464000D-09
-5.344972180D-13 2.460760535D-17 1.413386101D+04-1.252684909D+01
PbS Gurvich,1991 pt1 p448 pt2 p371.
2 tpis91 PB 1.00S 1.00 0.00 0.00 0.00 0 239.2650000 127945.313
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9430.113
1.529840503D+04-3.439746350D+02 5.680630640D+00-2.232931917D-03 2.504608209D-06
-1.470427328D-09 3.577527190D-13 1.578551202D+04-2.628900926D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9430.113
2.105441649D+06-5.520413580D+03 9.369249260D+00-1.410262019D-03-1.642683362D-07
1.451447577D-10-1.393564925D-14 5.009334530D+04-3.217417657D+01
PbS2 Gurvich,1991 pt1 p450 pt2 p372.
2 tpis91 PB 1.00S 2.00 0.00 0.00 0.00 0 271.3300000 244049.005
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14021.205
2.446375880D+04-6.654855460D+02 9.920201180D+00-4.924194380D-03 5.716906290D-06
-3.529488830D-09 8.971138350D-13 3.044310130D+04-2.295765552D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14021.205
-5.416700300D+04-1.343600342D+01 7.510700360D+00-4.497318630D-06 1.032444494D-09
-1.219580043D-13 5.785804650D-18 2.701229533D+04-8.714618097D+00
Rb Hf:Cox,1989. Moore,1971. Moore,1970a. Gordon,1999.
3 g 1/98 RB 1.00 0.00 0.00 0.00 0.00 0 85.4678000 80900.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.352856616D+01-2.042232679D-01 2.501213823D+00-3.650619900D-06 5.884722670D-09
-4.842274720D-12 1.596211946D-15 8.985569210D+03 6.207005480D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-1.138274064D+06 3.804041940D+03-2.750899258D+00 3.891460700D-03-1.632296823D-06
3.511893140D-10-2.521064422D-14 -1.466454849D+04 4.253442370D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
3.245192200D+08-3.493850870D+05 1.159097652D+02-1.492843123D-02 9.582385060D-07
-2.996233671D-11 3.657332046D-16 2.636178014D+06-9.586517230D+02
Rb+ Moore,1971. IP:Moore,1970a. Gordon,1999.
3 g 1/98 RB 1.00E -1.00 0.00 0.00 0.00 0 85.4672514 490129.128
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 5.820327360D+04 5.520506920D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 5.820327360D+04 5.520506920D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
4.120352830D+07-2.920376515D+04 1.102096776D+01-1.311457972D-03 1.124752629D-07
-5.107819770D-12 9.622794537D-17 2.850166118D+05-6.672202250D+01
Rb- Hotop,1985. Gordon,1999.
3 g 9/97 RB 1.00E 1.00 0.00 0.00 0.00 0 85.4683486 27818.528
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.600405796D+03 5.520526170D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.600405796D+03 5.520526170D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.600405796D+03 5.520526170D+00
RbBO2 Gurvich,1982 pt1 p459 pt2 p483.
2 tpis82 RB 1.00B 1.00O 2.00 0.00 0.00 0 128.2776000 -678977.302
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14332.698
4.198657750D+04-6.799448330D+02 8.185151010D+00 2.772536733D-03-6.175770470D-07
-9.426136250D-10 4.722414240D-13 -8.020339590D+04-1.239198887D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14332.698
9.154463400D+04-1.668328341D+03 1.117268757D+01-4.505533530D-04 9.681330590D-08
-1.088037652D-11 4.967733660D-16 -7.507903250D+04-3.131951149D+01
RbBr Gurvich,1982 pt1 p446 pt2 p470.
2 tpis82 RB 1.00BR 1.00 0.00 0.00 0.00 0 165.3718000 -191510.876
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10319.124
-5.703859700D+03 2.092281597D+01 4.370607370D+00 4.494604780D-04-4.835438840D-07
3.526068600D-10-9.886538320D-14 -2.449112515D+04 6.427431700D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10319.124
1.609092474D+06-4.466774590D+03 9.064092060D+00-1.995333358D-03 4.016633520D-07
-4.163091400D-12-3.092443341D-15 4.427467690D+03-2.757714089D+01
RbCL Gurvich,1982 pt1 p443 pt2 p467.
2 tpis82 RB 1.00CL 1.00 0.00 0.00 0.00 0 120.9208000 -223322.879
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10057.121
-5.740809580D+03-1.528835285D+01 4.515200900D+00 1.067270745D-04-6.385945590D-09
-1.301381692D-11 1.641459742D-14 -2.814243986D+04 4.190115141D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10057.121
-1.143043004D+06 4.003861880D+03-1.096156782D+00 4.033581280D-03-1.454151464D-06
2.719263762D-10-1.810463980D-14 -5.297686040D+04 4.311317822D+01
RbF Gurvich,1982 pt1 p440 pt2 p464.
2 tpis82 RB 1.00F 1.00 0.00 0.00 0.00 0 104.4662032 -333511.885
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9588.115
3.287360190D+04-6.080907460D+02 7.406622360D+00-7.277864720D-03 1.013930727D-05
-7.141372500D-09 2.014332982D-12 -3.849834130D+04-1.375750778D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9588.115
-8.544811150D+05 2.633756505D+03 1.216216506D+00 2.136494067D-03-6.728426080D-07
1.134905135D-10-6.825624440D-15 -5.810179110D+04 2.588118896D+01
RbH Gurvich,1982 pt1 p435 pt2 p459.
2 tpis82 RB 1.00H 1.00 0.00 0.00 0.00 0 86.4757400 119324.106
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8820.106
8.908270610D+03 4.649870400D+01 1.833967623D+00 8.444279140D-03-1.167538647D-05
8.010389420D-09-2.162578321D-12 1.328248009D+04 1.279544976D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8820.106
-2.937703530D+06 9.379817260D+03-7.542563460D+00 7.493226800D-03-2.159228887D-06
2.871300173D-10-1.459981256D-14 -4.595518830D+04 8.365664320D+01
RbI Gurvich,1982 pt1 p449 pt2 p473.
2 tpis82 RB 1.00I 1.00 0.00 0.00 0.00 0 212.3722700 -138480.874
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10459.126
-7.693052800D+02-2.968608844D+01 4.648745840D+00-2.962415236D-04 5.978135340D-07
-4.351255250D-10 1.313617336D-13 -1.786610717D+04 5.812409830D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10459.126
4.297424850D+06-1.296911161D+04 1.958730402D+01-8.458425590D-03 2.463480035D-06
-3.191575730D-10 1.458455589D-14 6.432948040D+04-1.009499336D+02
RbK Gurvich,1982 pt1 p462 pt2 p486.
2 tpis82 RB 1.00K 1.00 0.00 0.00 0.00 0 124.5661000 120013.330
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10808.130
2.494695429D+04-4.553060660D+02 7.686189950D+00-1.108112244D-02 2.093398586D-05
-1.824445366D-08 5.617645360D-12 1.516136160D+04-1.063563675D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10808.130
-4.175391070D+06 5.918588510D+03 9.202649420D+00-1.060933600D-02 4.964826060D-06
-8.716698790D-10 5.221887960D-14 -3.272769040D+04-1.372401997D+01
RbLi Gurvich,1982 pt1 p460 pt2 p484.
2 tpis82 RB 1.00LI 1.00 0.00 0.00 0.00 0 92.4088000 164181.324
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10276.124
-2.263413044D+03-2.888496910D+01 4.555826540D+00 3.625667530D-04-9.598002220D-07
1.631010244D-09-8.159825980D-13 1.853455250D+04 2.831743182D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10276.124
1.085515194D+07-3.805106970D+04 5.516555040D+01-3.128845612D-02 9.261650250D-06
-1.264671408D-09 6.431662050D-14 2.543964131D+05-3.520758710D+02
RbNO2 Gurvich,1982 pt1 p454 pt2 p478.
2 tpis82 RB 1.00N 1.00O 2.00 0.00 0.00 0 131.4733000 -187629.777
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15770.223
-7.199420030D+04 1.265802595D+03-2.415715742D+00 3.054641420D-02-3.684004050D-05
2.247716481D-08-5.547527430D-12 -3.037381667D+04 4.814256904D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15770.223
-1.644994453D+05-8.499443440D+02 1.063080575D+01-2.517893988D-04 5.561420120D-08
-6.378805600D-12 2.957679896D-16 -2.128590982D+04-2.568367325D+01
RbNO3 Gurvich,1982 pt1 p456 pt2 p480.
2 tpis82 RB 1.00N 1.00O 3.00 0.00 0.00 0 147.4727000 -314972.483
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16367.517
-2.664669172D+04 8.807634790D+02-3.159459457D+00 4.271229020D-02-5.351029210D-05
3.360969750D-08-8.503290510D-12 -4.353595460D+04 4.943052899D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16367.517
-3.147413867D+05-1.371457846D+03 1.401319759D+01-4.030275020D-04 8.878332290D-08
-1.016221214D-11 4.704254090D-16 -3.504339940D+04-4.619379241D+01
RbNa Gurvich,1982 pt1 p461 pt2 p485.
2 tpis82 RB 1.00NA 1.00 0.00 0.00 0.00 0 108.4575700 131470.328
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10665.128
2.974455567D+04-5.082790590D+02 7.734033520D+00-1.013006840D-02 1.745455325D-05
-1.398725470D-08 3.968106770D-12 1.682379436D+04-1.240085290D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10665.128
4.297114270D+06-1.831013588D+04 3.454394200D+01-2.230134993D-02 7.339874530D-06
-1.064784996D-09 5.617598460D-14 1.242610951D+05-1.993661980D+02
RbO Gurvich,1982 pt1 p429 pt2 p452.
2 tpis82 RB 1.00O 1.00 0.00 0.00 0.00 0 101.4672000 52489.324
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10337.124
1.900081316D+05-3.428228990D+03 2.480251273D+01-5.051654580D-02 6.476338760D-05
-4.198012420D-08 1.093889043D-11 2.083898450D+04-1.097559150D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10337.124
6.170756880D+05-2.175089620D+03 8.290412210D+00-2.996487663D-03 1.233144275D-06
-2.115810631D-10 1.242607430D-14 1.828164827D+04-2.117386042D+01
RbOH Gurvich,1997.
2 g 9/97 RB 1.00O 1.00H 1.00 0.00 0.00 0 102.4751400 -238000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11761.202
1.213832721D+04-5.441411590D+02 8.459814640D+00-3.561526560D-03 2.992872390D-06
-7.280267400D-10-4.553847180D-14 -2.787262486D+04-1.913421991D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11761.202
8.958583130D+05-2.332339000D+03 7.971192480D+00 1.044439355D-04-6.328257750D-08
1.029358824D-11-5.743277790D-16 -1.515568947D+04-1.950051629D+01
Rb2Br2 Gurvich,1982 pt1 p447 pt2 p471.
2 tpis82 RB 2.00BR 2.00 0.00 0.00 0.00 0 330.7436000 -551801.433
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21696.566
-8.005525400D+03-2.111968088D+01 1.008629404D+01-1.911936090D-04 2.366059490D-07
-1.533722380D-10 4.048725060D-14 -6.927313600D+04-9.622434630D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21696.566
-1.014535336D+04-3.601550320D-01 1.000031058D+01-1.380745805D-07 3.302067950D-11
-4.021581820D-15 1.953006729D-19 -6.937960880D+04-9.122562360D+00
Rb2CL2 Gurvich,1982 pt1 p444 pt2 p468.
2 tpis82 RB 2.00CL 2.00 0.00 0.00 0.00 0 241.8416000 -618373.536
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20785.574
-1.125039522D+04-6.756953990D+01 1.027381915D+01-6.031848990D-04 7.433324780D-07
-4.803372160D-10 1.264973638D-13 -7.706757500D+04-1.363652575D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20785.574
-1.818875133D+04-1.137903580D+00 1.000097318D+01-4.302156400D-07 1.024725787D-10
-1.244291058D-14 6.028912390D-19 -7.740897670D+04-1.204843385D+01
Rb2F2 Gurvich,1982 pt1 p441 pt2 p465.
2 tpis82 RB 2.00F 2.00 0.00 0.00 0.00 0 208.9324064 -854913.348
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18889.758
-8.178347100D+03-3.334733540D+02 1.131540799D+01-2.842914926D-03 3.454959580D-06
-2.209373419D-09 5.772073270D-13 -1.042230504D+05-2.368991587D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18889.758
-4.376574390D+04-5.761452040D+00 1.000482691D+01-2.104159548D-06 4.962416270D-10
-5.982174970D-14 2.882751742D-18 -1.059176154D+05-1.603254014D+01
Rb2I2 Gurvich,1982 pt1 p450 pt2 p474.
2 tpis82 RB 2.00I 2.00 0.00 0.00 0.00 0 424.7445400 -432956.482
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22217.518
-5.839663550D+03-9.527537900D+00 1.003904495D+01-8.668754000D-05 1.074384368D-07
-6.972122230D-11 1.842065721D-14 -5.502780960D+04-7.174113320D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22217.518
-6.799834640D+03-1.642527699D-01 1.000014200D+01-6.321420730D-08 1.512811170D-11
-1.843027189D-15 8.951244180D-20 -5.507579620D+04-6.948045390D+00
Rb2O Gurvich,1982 pt1 p431 pt2 p455.
2 tpis82 RB 2.00O 1.00 0.00 0.00 0.00 0 186.9350000 -108929.421
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14215.779
1.971276138D+04-4.627508860D+02 8.588293130D+00-3.085559728D-03 3.451980140D-06
-2.068570368D-09 5.132480500D-13 -1.284854711D+04-1.264891828D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14215.779
-3.846360090D+04-1.082831019D+01 7.008421890D+00-3.476228120D-06 7.869785060D-10
-9.195683850D-14 4.325201520D-18 -1.525373768D+04-3.230388780D+00
Rb2O2 Gurvich,1982 pt1 p434 pt2 p457.
2 tpis82 RB 2.00O 2.00 0.00 0.00 0.00 0 202.9344000 -215848.468
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16847.132
3.260553230D+04-7.578164720D+02 1.070815124D+01 1.148004329D-03-3.291243670D-06
2.853106637D-09-8.721590680D-13 -2.475317258D+04-2.434276460D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16847.132
-1.318567396D+05-9.647737790D+01 1.007222726D+01-2.894921706D-05 6.405639100D-09
-7.351419390D-13 3.408561710D-17 -2.882179733D+04-1.910948823D+01
Rb2O2H2 Gurvich,1997. .
2 g 9/97 RB 2.00O 2.00H 2.00 0.00 0.00 0 204.9502800 -639000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23407.379
-4.577076530D+03-8.417631000D+02 1.704083828D+01-5.357882540D-03 3.951778770D-06
-2.051775094D-10-4.085416910D-13 -7.694982170D+04-5.435412780D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23407.379
1.792711652D+06-4.659406600D+03 1.693822422D+01 2.106246492D-04-1.269617470D-07
2.063382927D-11-1.150861507D-15 -5.024117630D+04-6.027054920D+01
Rb2SO4 Gurvich,1982 pt1 p452 pt2 p476.
2 g10/99 RB 2.00S 1.00O 4.00 0.00 0.00 0 266.9982000 -1096592.052
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23321.948
6.094854930D+04-6.889705900D+02 7.034242180D+00 3.933945470D-02-5.498920510D-05
3.716341080D-08-9.919863380D-12 -1.311877657D+05-4.450168488D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23321.948
-5.302898310D+05-9.515435450D+02 1.971013517D+01-2.842916301D-04 6.289142940D-08
-7.219324300D-12 3.348718190D-16 -1.338713151D+05-7.056246882D+01
Rn Ref-Elm. Moore,1971. Gordon,1999.
3 g 5/97 RN 1.00 0.00 0.00 0.00 0.00 0 222.0176000 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
3.389432090D-06-1.311675533D-07 2.500000001D+00-2.978593139D-12 4.337050730D-15
-3.182040220D-18 9.247787030D-22 -7.453749990D+02 6.952441980D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
2.730190029D+04-8.284672620D+01 2.598178483D+00-5.813729850D-05 1.819136527D-08
-2.866656182D-12 1.789322176D-16 -2.202809340D+02 6.255005710D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
9.180866680D+08-6.245854600D+05 1.724946531D+02-2.325758595D-02 1.636222413D-06
-5.369173150D-11 6.507189926D-16 4.883105900D+06-1.449516146D+03
Rn+ Moore,1971. Gordon,1999.
3 g 1/97 RN 1.00E -1.00 0.00 0.00 0.00 0 222.0170514 1043270.264
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-9.697148970D-02 1.106742047D-03 2.499994937D+00 1.189388239D-08-1.515895754D-11
9.958934810D-15-2.640751817D-18 1.247304760D+05 8.338761700D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-1.998285319D+04 5.930675660D+01 2.432476003D+00 3.716025920D-05-1.012057848D-08
1.192256661D-12-3.184521980D-17 1.243528478D+05 8.821997790D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-2.408821471D+07 1.571151698D+04-1.411683762D+00 4.495267600D-04-2.324033616D-08
5.830243350D-13-5.821682810D-18 9.187457500D+02 4.233613280D+01
S Hf: Cox,1989 p22. Martin,W.C.,1990. Gordon,1999.
3 g 5/97 S 1.00 0.00 0.00 0.00 0.00 0 32.0650000 277170.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6657.425
-3.174841820D+02-1.924704923D+02 4.686825930D+00-5.841365600D-03 7.538533520D-06
-4.863586040D-09 1.256976992D-12 3.323592180D+04-5.718523969D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6657.425
-4.854244790D+05 1.438830408D+03 1.258504116D+00 3.797990430D-04 1.630685864D-09
-9.547095850D-12 8.041466646D-16 2.334995270D+04 1.559554855D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6657.425
-1.302005414D+08 6.909362020D+04-1.176228025D+01 1.601540850D-03-1.050533340D-07
4.341829020D-12-7.675621927D-17 -5.261485030D+05 1.322195251D+02
S+ Martin,W.C.,1990. Gordon,1999.
3 g 1/98 S 1.00E -1.00 0.00 0.00 0.00 0 32.0644514 1282496.428
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.535026117D+05 5.436223340D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.346218684D+06-4.056871510D+03 7.153436550D+00-2.523562352D-03 6.429539610D-07
-6.431672160D-11 2.141387919D-15 1.792823835D+05-2.786935079D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.542254583D+08-1.023073546D+05 2.591796942D+01-2.111469141D-03 9.215571560D-08
-1.964168821D-12 2.096218597D-17 9.622418410D+05-2.017239957D+02
S- Hotop,1985. Gordon,1999.
3 g 4/97 S 1.00E 1.00 0.00 0.00 0.00 0 32.0655486 70368.505
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6464.905
-2.596051473D+03-1.422398653D+02 4.007825670D+00-3.608855910D-03 4.236230000D-06
-2.520987604D-09 6.079479760D-13 8.197793070D+03-2.582377345D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6464.905
2.730311692D+03 1.414072078D+02 2.403340775D+00 3.693577530D-05-7.944080440D-09
8.952208380D-13-4.099662820D-17 6.931195700D+03 6.574986902D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6464.905
-1.223682088D+05 1.203125842D+02 2.473942293D+00 2.935459895D-06-1.808577869D-10
5.778854260D-15-7.490337240D-20 6.947841220D+03 6.070579772D+00
SCL Chase,1998 p803.
2 j 6/78 S 1.00CL 1.00 0.00 0.00 0.00 0 67.5180000 156465.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9819.151
1.613051454D+04-5.606249550D+02 8.064931130D+00-9.186326400D-03 1.224205395D-05
-8.209562020D-09 2.205087197D-12 1.997739280D+04-1.693354410D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9819.151
-9.405123450D+04 3.629760850D+02 4.069959360D+00 3.034029742D-04-8.248301390D-08
1.252700734D-11-6.417463650D-16 1.523111069D+04 6.014528409D+00
SCL2 Chase,1998 p856.
2 j 6/78 S 1.00CL 2.00 0.00 0.00 0.00 0 102.9710000 -17573.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12445.325
5.792311830D+04-1.062447681D+03 1.037694738D+01-6.130229020D-03 6.463486000D-06
-3.679038050D-09 8.731931650D-13 1.262475821D+03-2.691769492D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12445.325
-2.341039963D+05 4.287569580D+02 6.471415390D+00 3.179476740D-04-9.747483080D-08
1.393318570D-11-6.394795170D-16 -7.210473700D+03-2.774273151D+00
SCL2+ Chase,1998 p857.
3 j 6/78 S 1.00CL 2.00E -1.00 0.00 0.00 0 102.9704514 901383.347
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12453.247
4.934876870D+04-9.601641020D+02 9.884792780D+00-4.950257170D-03 4.946286970D-06
-2.678720604D-09 6.076844030D-13 1.112812037D+05-2.342664942D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12453.247
-2.339403605D+05 5.516283260D+02 6.125212160D+00 6.771056320D-04-2.674382769D-07
4.935938880D-11-2.955831247D-15 1.026787381D+05 1.365611954D-01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12453.247
1.159729818D+08-4.231290230D+04 7.753324790D+00 1.215229138D-03-1.338847939D-07
5.496166430D-12-8.098916920D-17 4.756171550D+05-2.296333258D+01
SD Chase,1998 p1039.
2 j 6/77 S 1.00D 1.00 0.00 0.00 0.00 0 34.0791020 138490.892
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9294.443
-3.295574990D+04 1.647104687D+02 4.978984550D+00-8.031585710D-03 1.653766397D-05
-1.345197981D-08 4.000431530D-12 1.435862329D+04-1.997334017D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9294.443
2.456732490D+05-1.180034105D+03 5.284690050D+00-2.384319882D-04 6.009960290D-08
-7.131163640D-12 4.035858700D-16 2.265545124D+04-8.350483655D+00
SF Gurvich,1989 pt1 p302 pt2 p183.
2 tpis89 S 1.00F 1.00 0.00 0.00 0.00 0 51.0634032 15445.561
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9470.114
1.206456774D+04-2.910270770D+02 5.480101570D+00-1.975880235D-03 2.473685990D-06
-1.610904623D-09 4.310038540D-13 1.991337574D+03-4.544138975D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9470.114
7.634580750D+05-2.423638430D+03 7.352198710D+00-1.598026079D-03 4.868515020D-07
-6.478000530D-11 2.980297310D-15 1.577461591D+04-1.902584835D+01
SF+ Chase,1998 p1091 6/76.
3 g 1/01 S 1.00F 1.00E -1.00 0.00 0.00 0 51.0628546 994570.218
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8864.318
6.578303670D+04-6.986699970D+02 5.621292240D+00-6.909274110D-04-1.282392780D-07
4.021320420D-10-1.424033453D-13 1.221751247D+05-6.682377715D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8864.318
-9.374943900D+05 2.377214240D+03 2.052929113D+00 1.081609837D-03-1.535468024D-07
8.222691900D-12 3.259746880D-17 1.026849122D+05 1.887705768D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8864.318
-4.833080340D+07 3.315103280D+04-4.246678200D+00 1.269355284D-03-7.864010490D-08
2.406680266D-12-2.892795916D-17 -1.419262455D+05 7.611520762D+01
SF- Gurvich,1989 pt1 p304 pt2 p184.
2 tpis89 S 1.00F 1.00E 1.00 0.00 0.00 0 51.0639518 -231346.893
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8875.107
5.019879280D+04-5.321549310D+02 4.904849010D+00 9.915307420D-04-2.270841545D-06
1.844749756D-09-5.357057200D-13 -2.611388646D+04-3.637468065D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8875.107
2.068923125D+05-1.324372811D+03 6.646211240D+00-1.641781588D-03 6.783883120D-07
-1.198331099D-10 7.121739540D-15 -2.150994816D+04-1.470239183D+01
SF2 Gurvich,1989 pt1 p305 pt2 p185.
2 tpis89 S 1.00F 2.00 0.00 0.00 0.00 0 70.0618064 -293188.734
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11048.373
6.870871130D+04-8.432418250D+02 6.269496400D+00 6.484142450D-03-1.145126533D-05
8.770291560D-09-2.542611601D-12 -3.229980700D+04-8.800025780D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11048.373
-1.702612287D+05-1.497038204D+02 7.110934140D+00-4.407741600D-05 9.682208310D-09
-1.104468959D-12 5.095308780D-17 -3.704289490D+04-1.095253960D+01
SF2+ Chase,1998 p1144 12/76.
3 g 1/01 S 1.00F 2.00E -1.00 0.00 0.00 0 70.0612578 706015.901
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11234.180
1.311648923D+05-1.552127914D+03 9.803424720D+00-2.488118587D-03 7.501565130D-07
3.135384495D-10-1.986281446D-13 9.137758390D+04-2.792300566D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11234.180
-3.847531020D+05 5.327893020D+02 6.281908900D+00 4.522790120D-04-1.426421096D-07
2.079708115D-11-9.691709890D-16 7.884213810D+04-4.216110530D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11234.180
-1.635869714D+08 1.203460697D+05-2.737707929D+01 4.676205400D-03-3.035589058D-07
9.547077170D-12-1.181291324D-16 -8.508449070D+05 2.843901430D+02
SF2- Chase,1998 p1145 12/76.
3 g 1/01 S 1.00F 2.00E 1.00 0.00 0.00 0 70.0623550 -394794.960
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12124.875
5.284572480D+04-1.032342905D+03 1.006404631D+01-5.209503250D-03 5.168381370D-06
-2.783420867D-09 6.286410080D-13 -4.423303780D+04-2.699266970D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12124.875
-9.376618950D+04-3.638995270D+01 7.027942820D+00-1.142143365D-05 2.566295898D-09
-2.981125977D-13 1.395700722D-17 -4.967050330D+04-8.483087899D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12124.875
-2.168882121D+04-5.051042570D+01 7.011106220D+00-1.262936151D-06 7.835542760D-11
-2.517641418D-15 3.278401810D-20 -4.951246860D+04-8.370909449D+00
SF3 Gurvich,1989 pt1 p306 pt2 p186.
2 tpis89 S 1.00F 3.00 0.00 0.00 0.00 0 89.0602096 -504101.395
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13548.265
1.284008253D+05-2.084871223D+03 1.423421102D+01-4.015032190D-03 9.152258040D-07
1.109809721D-09-5.988602720D-13 -5.239517340D+04-5.187194724D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13548.265
-2.411283460D+05-1.418950375D+02 1.010590548D+01-4.231526910D-05 9.336120600D-09
-1.068727665D-12 4.944342600D-17 -6.358445860D+04-2.489561796D+01
SF3+ Chase,1998 p1170.
3 j12/76 S 1.00F 3.00E -1.00 0.00 0.00 0 89.0596610 393583.476
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12409.148
2.157633857D+05-2.564488498D+03 1.323216044D+01-1.749580869D-04-3.712958710D-06
3.580688420D-09-1.084376153D-12 5.876088420D+04-5.024130184D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12409.148
-3.778260750D+05-1.621770252D+02 9.960265970D+00 1.237729568D-04-6.442207890D-08
1.300856025D-11-7.915106980D-16 4.415426810D+04-2.673900770D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12409.148
8.358347800D+06 2.002176210D+03 7.115714750D+00 6.563028420D-04-5.120344380D-08
1.781530495D-12-2.365386482D-17 3.575488850D+04-4.384285323D+00
SF3- Gurvich,1989 pt1 p307 pt2 p187.
2 tpis89 S 1.00F 3.00E 1.00 0.00 0.00 0 89.0607582 -790124.207
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13722.893
1.546500675D+05-2.469768526D+03 1.657548496D+01-1.020137434D-02 9.368008460D-06
-4.725672600D-09 1.009661431D-12 -8.500157900D+04-6.532166474D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13722.893
-2.253860964D+05-1.308890242D+02 1.009972380D+01-4.052345530D-05 9.064565220D-09
-1.049320641D-12 4.899201260D-17 -9.800227200D+04-2.524368023D+01
SF4 Gurvich,1989 pt1 p307 pt2 p188.
2 tpis89 S 1.00F 4.00 0.00 0.00 0.00 0 108.0586128 -760000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15382.882
1.636183265D+05-2.531316261D+03 1.559106568D+01 3.326704310D-03-1.054935525D-05
9.391363050D-09-2.914816694D-12 -8.115558920D+04-6.131532958D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15382.882
-3.777125160D+05-2.937595659D+02 1.321902007D+01-8.747669450D-05 1.929905265D-08
-2.209423506D-12 1.022335559D-16 -9.483175340D+04-4.243061278D+01
SF4+ Chase,1998 p1188.
3 j12/76 S 1.00F 4.00E -1.00 0.00 0.00 0 108.0580642 416111.962
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16505.547
2.309587324D+05-3.383777670D+03 2.101756367D+01-1.106529555D-02 9.038097280D-06
-4.055912640D-09 7.712575180D-13 6.425375150D+04-8.938224908D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16505.547
-4.189172750D+05 4.002889640D+01 1.283873264D+01 1.340235036D-04-4.818135180D-08
7.574595960D-12-3.696670780D-16 4.469944230D+04-3.760378598D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16505.547
-3.761690270D+07 2.881726011D+04 4.470948840D+00 1.170801362D-03-7.325658000D-08
2.214151827D-12-2.649348632D-17 -1.772949712D+05 3.397688982D+01
SF4- Chase,1998 p1189.
3 j12/76 S 1.00F 4.00E 1.00 0.00 0.00 0 108.0591614 -887464.320
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18480.321
1.005523355D+05-2.267351994D+03 1.979284560D+01-1.163761842D-02 1.161792139D-05
-6.288895470D-09 1.426371272D-12 -9.895597430D+04-7.916366078D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18480.321
3.208822080D+05-1.710416599D+03 1.494425485D+01-1.057207329D-03 2.742846920D-07
-2.905761211D-11 1.084482543D-15 -1.005231225D+05-5.164256578D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18480.321
5.436095670D+07-3.546125020D+04 2.105391090D+01-7.366819310D-04 3.537247530D-08
-8.825254090D-13 9.049180280D-18 1.694175033D+05-1.089710894D+02
SF5 Gurvich,1989 pt1 p308 pt2 p189.
2 tpis89 S 1.00F 5.00 0.00 0.00 0.00 0 127.0570160 -902663.287
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18811.479
2.224176850D+05-4.043991750D+03 2.707196786D+01-1.744176604D-02 1.604198715D-05
-7.997243020D-09 1.667968061D-12 -9.220078270D+04-1.232426279D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18811.479
-3.892426370D+05-1.825826536D+02 1.613765057D+01-5.544834230D-05 1.231433706D-08
-1.417173409D-12 6.584889400D-17 -1.135671054D+05-5.577524201D+01
SF5+ Chase,1998 p1200.
3 j12/77 S 1.00F 5.00E -1.00 0.00 0.00 0 127.0564674 172644.006
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16347.344
3.777135620D+05-5.646075120D+03 3.049404270D+01-2.176488368D-02 1.941993792D-05
-9.556201140D-09 2.000077302D-12 4.592204810D+04-1.489889627D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16347.344
-9.814342320D+05 7.208817390D+02 1.564386818D+01-2.452519972D-04 2.241690996D-07
-3.990035890D-11 2.279087545D-15 9.090953190D+03-5.531460631D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16347.344
9.063623020D+06-8.079630910D+03 1.805068495D+01-2.624346278D-05-4.739171840D-09
2.144486076D-13-2.737984333D-18 7.597515770D+04-7.692263871D+01
SF5- Gurvich,1989 pt1 p309 pt2 p190.
2 tpis89 S 1.00F 5.00E 1.00 0.00 0.00 0 127.0575646 -1204622.287
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19049.913
2.095031134D+05-3.930081140D+03 2.702127215D+01-1.792973203D-02 1.718122152D-05
-9.000560190D-09 1.988018147D-12 -1.291816581D+05-1.231672857D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19049.913
-3.733219200D+05-1.793729521D+02 1.613699748D+01-5.577539970D-05 1.249477046D-08
-1.448104799D-12 6.767462300D-17 -1.498554401D+05-5.631439391D+01
SF6 Gurvich,1989 pt1 p311 pt2 p191.
2 tpis89 S 1.00F 6.00 0.00 0.00 0.00 0 146.0554192 -1219400.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16940.067
3.309526740D+05-4.737685050D+03 2.247738068D+01 1.046954309D-02-2.560641961D-05
2.153716967D-08-6.516098960D-12 -1.255360583D+05-1.091760145D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16940.067
-7.306726500D+05-6.367056550D+02 1.947442853D+01-1.894325671D-04 4.178722830D-08
-4.783744950D-12 2.213516129D-16 -1.510609837D+05-8.147574587D+01
SF6- Chase,1998 p1206.
3 j 6/77 S 1.00F 6.00E 1.00 0.00 0.00 0 146.0559678 -1341876.033
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17490.714
4.985809210D+05-6.934445740D+03 3.441318330D+01-1.984032360D-02 1.497871222D-05
-6.133234650D-09 1.045159581D-12 -1.297069066D+05-1.747984495D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17490.714
-6.818073510D+05-5.947429960D+02 1.945009842D+01-1.820212649D-04 4.057079570D-08
-4.683820930D-12 2.182263999D-16 -1.658902452D+05-7.965845887D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17490.714
1.777074958D+05-6.533730340D+02 1.914322537D+01-1.624883879D-05 1.006454127D-09
-3.230395820D-14 4.203897370D-19 -1.646993323D+05-7.753346267D+01
SH D0:Continetti,1991. Gurvich,1989 pt1 p296 pt2 p179.
2 g10/01 S 1.00H 1.00 0.00 0.00 0.00 0 33.0729400 142135.309
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9098.109
6.389434680D+03-3.747960920D+02 7.548145770D+00-1.288875477D-02 1.907786343D-05
-1.265033728D-08 3.235158690D-12 1.742902395D+04-1.760761843D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9098.109
1.682631601D+06-5.177152210D+03 9.198168520D+00-2.323550224D-03 6.543914780D-07
-8.468470420D-11 3.864741550D-15 4.899214490D+04-3.770400275D+01
SH- Gurvich,1989 pt1 p297 pt2 p180.
2 g10/01 S 1.00H 1.00E 1.00 0.00 0.00 0 33.0734886 -86574.096
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8646.104
3.878070760D+04-5.742590600D+02 6.898544460D+00-1.001352412D-02 1.486460572D-05
-9.750368900D-09 2.446909813D-12 -8.735388980D+03-1.615966489D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8646.104
1.198715402D+06-3.894846820D+03 7.660422330D+00-1.355237590D-03 3.342370240D-07
-3.350722310D-11 9.055084780D-16 1.317477387D+04-2.818370616D+01
SN Gurvich,1989 pt1 p392 pt2 p252.
2 tpis89 S 1.00N 1.00 0.00 0.00 0.00 0 46.0717000 267388.313
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9393.113
-6.835412350D+04 1.147567483D+03-2.877802574D+00 1.724864320D-02-2.058999904D-05
1.261369640D-08-3.139030141D-12 2.564143612D+04 4.224006964D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9393.113
-4.837284460D+05 1.058075590D+03 3.086198804D+00 9.111360780D-04-2.764061722D-07
4.157370110D-11-2.128351755D-15 2.379345477D+04 1.033222139D+01
SO Gurvich,1989 pt1 p286 pt2 p173.
2 tpis89 S 1.00O 1.00 0.00 0.00 0.00 0 48.0644000 4760.306
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8798.106
-3.342757000D+04 6.403862500D+02-1.006641228D+00 1.381512705D-02-1.704486364D-05
1.061294930D-08-2.645796205D-12 -3.371292190D+03 3.093861963D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8798.106
-1.443410557D+06 4.113874360D+03-5.383695780D-01 2.794153269D-03-6.633352260D-07
7.838221190D-11-3.560509070D-15 -2.708838059D+04 3.615358329D+01
SO- Gurvich,1989 pt1 p288 pt2 p174.
2 tpis89 S 1.00O 1.00E 1.00 0.00 0.00 0 48.0649486 -105968.086
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9467.114
8.420196970D+03-6.916586680D+01 3.837666610D+00 2.166482062D-03-2.811222562D-06
1.793426453D-09-4.521795950D-13 -1.354162531D+04 4.316141603D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9467.114
1.767156147D+05-6.633987360D+02 5.177279810D+00-2.853461125D-04 7.214421530D-08
-3.676469490D-12-2.910092894D-16 -9.984438010D+03-3.951456757D+00
SOF2 Gurvich,1989 pt1 p312 pt2 p192.
2 tpis89 S 1.00O 1.00F 2.00 0.00 0.00 0 86.0612064 -584952.313
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12624.845
6.114579650D+04-9.081119670D+02 6.883623260D+00 1.192459695D-02-1.671006410D-05
1.110723646D-08-2.910788226D-12 -6.742935840D+04-1.125458745D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12624.845
-2.510555779D+05-6.074439610D+02 1.045046709D+01-1.796384979D-04 3.964169730D-08
-4.543055240D-12 2.104969923D-16 -7.072071710D+04-2.904334504D+01
SO2 Gurvich,1989 pt1 p288 pt2 p175.
2 tpis89 S 1.00O 2.00 0.00 0.00 0.00 0 64.0638000 -296810.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10548.127
-5.310842140D+04 9.090311670D+02-2.356891244D+00 2.204449885D-02-2.510781471D-05
1.446300484D-08-3.369070940D-12 -4.113752080D+04 4.045512519D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10548.127
-1.127640116D+05-8.252261380D+02 7.616178630D+00-1.999327610D-04 5.655631430D-08
-5.454316610D-12 2.918294102D-16 -3.351308690D+04-1.655776085D+01
SO2- Gurvich,1989 pt1 p290 pt2 p176.
2 tpis89 S 1.00O 2.00E 1.00 0.00 0.00 0 64.0643486 -408606.069
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10749.431
9.460901660D+04-8.562691050D+02 5.360074220D+00 7.609576740D-03-1.092005659D-05
7.202547730D-09-1.850138220D-12 -4.580094810D+04-3.929956604D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10749.431
-1.793400005D+05-3.663168760D+02 7.274441050D+00-1.101944663D-04 2.443328132D-08
-2.809735019D-12 1.305160431D-16 -4.973072610D+04-1.261421156D+01
SO2CL2 Chase,1998 p847.
2 j 6/71 S 1.00O 2.00CL 2.00 0.00 0.00 0 134.9698000 -354803.200
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16028.704
6.821592390D+03-5.849569200D+02 8.596756910D+00 1.197228675D-02-1.333760700D-05
7.126129000D-09-1.496150016D-12 -4.230783810D+04-1.652458363D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16028.704
-2.376639109D+05-9.647740410D+02 1.371469904D+01-2.850327057D-04 6.293509620D-08
-7.217844260D-12 3.346840220D-16 -4.190072990D+04-4.481942575D+01
SO2FCL Chase,1998 p754.
2 j 6/71 S 1.00O 2.00F 1.00CL 1.00 0.00 0 118.5152032 -556472.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14700.981
3.684561300D+04-8.038358950D+02 7.526186880D+00 1.620141782D-02-1.970595270D-05
1.166250330D-08-2.759241465D-12 -6.503598190D+04-1.299745646D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14700.981
-2.915402438D+05-1.107134423D+03 1.381845158D+01-3.258514460D-04 7.184741000D-08
-8.230625200D-12 3.812925620D-16 -6.552472690D+04-4.709166446D+01
SO2F2 Gurvich,1989 pt1 p313 pt2 p193.
2 tpis89 S 1.00O 2.00F 2.00 0.00 0.00 0 102.0606064 -760000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13490.451
5.533153530D+04-8.074639680D+02 5.287172160D+00 2.294547775D-02-2.891025299D-05
1.785631907D-08-4.418919500D-12 -8.899428820D+04-4.124256607D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13490.451
-3.403904450D+05-1.309288764D+03 1.396601541D+01-3.840088150D-04 8.456688780D-08
-9.678246870D-12 4.480014280D-16 -8.901994140D+04-5.109270050D+01
SO3 Gurvich,1989 pt1 p292 pt2 p177.
2 tpis89 S 1.00O 3.00 0.00 0.00 0.00 0 80.0632000 -395900.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11688.499
-3.952855290D+04 6.208572570D+02-1.437731716D+00 2.764126467D-02-3.144958662D-05
1.792798000D-08-4.126386660D-12 -5.184106170D+04 3.391331216D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11688.499
-2.166923781D+05-1.301022399D+03 1.096287985D+01-3.837100020D-04 8.466889040D-08
-9.705399290D-12 4.498397540D-16 -4.398283990D+04-3.655217314D+01
S2 Gurvich,1989 pt1 p270 pt2 p165.
2 tpis89 S 2.00 0.00 0.00 0.00 0.00 0 64.1300000 128600.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9132.110
3.528091780D+04-4.222156580D+02 4.677433490D+00 1.724046361D-03-3.862208210D-06
3.336156340D-09-9.930661540D-13 1.654767715D+04-7.957279032D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9132.110
-1.588128788D+04 6.315480880D+02 2.449628069D+00 1.986240565D-03-6.507927240D-07
1.002813651D-10-5.596990050D-15 1.085508427D+04 1.458544515D+01
S2- Gurvich,1989 pt1 p274 pt2 p166.
2 tpis89 S 2.00E 1.00 0.00 0.00 0.00 0 64.1305486 -37132.385
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9597.115
1.025558251D+04-6.166128250D+02 8.182052840D+00-8.311203580D-03 9.720274160D-06
-5.775476780D-09 1.393690695D-12 -3.063559874D+03-1.906068041D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9597.115
4.830204030D+05-1.319171302D+03 6.031778480D+00-7.965560690D-04 2.282241690D-07
-2.504364698D-11 7.280550780D-16 2.660258490D+03-9.010480319D+00
S2CL2 Chase,1998 p859 6/78.
2 g12/00 S 2.00CL 2.00 0.00 0.00 0.00 0 135.0360000 -16736.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16520.761
7.974974740D+04-1.636770024D+03 1.583744686D+01-1.186906072D-02 1.413008027D-05
-8.484903930D-09 1.981743887D-12 3.276872420D+03-5.293745205D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16520.761
6.328816000D+05-3.442705800D+03 1.519637350D+01-2.960877176D-03 6.888284370D-07
-7.990692530D-11 3.692466060D-15 1.526672656D+04-5.453315445D+01
S2F2 Thiothionyl fluoride. Chase,1998 p1147.
2 j 6/76 S 2.00F 2.00 0.00 0.00 0.00 0 102.1268064 -401413.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13717.892
1.252904041D+05-1.941243874D+03 1.325382183D+01-1.341525124D-03-2.772465632D-06
3.658169290D-09-1.299531209D-12 -4.067208250D+04-4.560828617D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13717.892
-2.591757719D+05-1.059653069D+02 1.006588551D+01-2.274618148D-05 5.412343140D-09
-9.911387140D-13 9.621861440D-17 -5.147675180D+04-2.375666140D+01
S2O Gurvich,1989 pt1 p293 pt2 p178.
2 tpis89 S 2.00O 1.00 0.00 0.00 0.00 0 80.1294000 -56035.495
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11128.557
1.092703310D+04-9.523099870D+01 3.144525430D+00 1.176854200D-02-1.580266840D-05
1.037645040D-08-2.708622260D-12 -7.500471900D+03 1.104169896D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11128.557
-1.442139790D+05-3.276430130D+02 7.244286110D+00-9.776538300D-05 2.162712700D-08
-2.482782220D-12 1.151778750D-16 -7.438553930D+03-1.085180744D+01
S3 Gurvich,1989 pt1 p275 pt2 p167.
2 tpis89 S 3.00 0.00 0.00 0.00 0.00 0 96.1950000 144738.328
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11974.328
7.245395740D+04-1.162146759D+03 9.955413680D+00-4.158026220D-03 3.241778390D-06
-1.264648239D-09 1.777450535D-13 2.146275475D+04-2.587525865D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11974.328
-1.117805401D+05-5.197908390D+01 7.038760840D+00-1.546804022D-05 3.408340410D-09
-3.896862360D-13 1.800860389D-17 1.525406485D+04-7.610045099D+00
S4 Gurvich,1989 pt1 p280 pt2 p168.
2 tpis89 S 4.00 0.00 0.00 0.00 0.00 0 128.2600000 135632.333
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14280.333
1.198664135D+05-2.040786521D+03 1.510235054D+01-7.041104300D-03 5.350405000D-06
-2.002348038D-09 2.569940995D-13 2.410909409D+04-5.503153238D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14280.333
-2.068333537D+05-9.696151430D+01 1.007243210D+01-2.895047053D-05 6.387806190D-09
-7.311767430D-13 3.382265290D-17 1.321109530D+04-2.344872237D+01
S5 Gurvich,1989 pt1 p281 pt2 p169.
2 tpis89 S 5.00 0.00 0.00 0.00 0.00 0 160.3250000 132993.354
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19053.354
1.361370439D+05-2.955476536D+03 2.633358816D+01-4.125806530D-02 7.056814030D-05
-5.611095330D-08 1.659457200D-11 2.675307046D+04-1.069711067D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19053.354
-4.038495160D+06 8.601803880D+03 7.443780900D+00 1.533393812D-03-2.532718676D-07
2.145210795D-11-7.213102680D-16 -4.686925420D+04 1.104229196D+01
S6 Gurvich,1989 pt1 p282 pt2 p170.
2 tpis89 S 6.00 0.00 0.00 0.00 0.00 0 192.3900000 101315.180
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22787.179
9.780307210D+04-2.568470130D+03 2.467025557D+01-1.619983175D-02 1.712334526D-05
-9.746296740D-09 2.486964867D-12 2.037888389D+04-1.014410309D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22787.179
3.686845060D+06-7.695017900D+03 1.860721995D+01 2.290382548D-03-1.219834021D-06
2.060780798D-10-1.190354318D-14 6.032486480D+04-7.490245718D+01
S7 Gurvich,1989 pt1 p283 pt2 p171.
2 tpis89 S 7.00 0.00 0.00 0.00 0.00 0 224.4550000 111890.369
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26274.368
1.233655613D+05-3.200543640D+03 3.015678887D+01-2.197472483D-02 2.487892075D-05
-1.506049557D-08 3.768925990D-12 2.390005896D+04-1.275978171D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26274.368
-2.726396041D+05-7.373215220D+01 1.905771987D+01-2.394575885D-05 5.442671300D-09
-6.379663480D-13 3.008212993D-17 7.308458830D+03-6.159112428D+01
S8 Gurvich,1989 pt1 p284 pt2 p172.
2 tpis89 S 8.00 0.00 0.00 0.00 0.00 0 256.5200000 101277.122
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 31573.122
3.145625719D+05-6.116510160D+03 4.875327540D+01-6.241794650D-02 7.421831750D-05
-3.726449310D-08 5.799429880D-12 3.573890840D+04-2.288701977D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 31573.122
-8.727921130D+06 1.221627968D+04 2.209959617D+01-3.494064830D-03 1.397604162D-06
-2.169815281D-10 1.212304364D-14 -8.658110820D+04-6.435742508D+01
Sc Hf:Gurvich,1982. Sugar,1985. Gordon,1999.
3 g 1/99 SC 1.00 0.00 0.00 0.00 0.00 0 44.9559100 377700.259
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7002.259
-3.700805940D+03 1.692506026D+02 1.842242597D+00 1.364835821D-03-1.580085847D-06
9.613111150D-10-2.392381918D-13 4.385215240D+04 1.072781921D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7002.259
8.810382650D+06-2.711232975D+04 3.476588660D+01-1.861104581D-02 5.290283900D-06
-6.585408060D-10 2.997850429D-14 2.162460097D+05-2.225618519D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7002.259
2.283130511D+09-1.367701232D+06 3.213593060D+02-3.563171100D-02 2.093254715D-06
-6.238650020D-11 7.425605615D-16 1.092708359D+07-2.781409383D+03
Sc+ Sugar,1985. Gordon,1999.
3 g 7/97 SC 1.00E -1.00 0.00 0.00 0.00 0 44.9553614 1017145.222
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7161.922
-5.884930160D+03 1.479044408D+02 2.009576456D+00 7.389566970D-04-6.617964820D-07
6.841073760D-10-2.164125532D-13 1.208439139D+05 1.026570620D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7161.922
1.973658531D+06-4.954384100D+03 6.360627350D+00-7.168785920D-04 2.464991123D-08
9.632373790D-12-8.544709642D-16 1.543423764D+05-2.261925782D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7161.922
2.219151811D+08-1.287881370D+05 3.265593870D+01-3.379963200D-03 1.981741972D-07
-5.190207160D-12 4.635586113D-17 1.149364313D+06-2.553294937D+02
Sc- Hotop,1985. Used J from isoelectronic Ti. Gordon,1999.
3 g 9/97 SC 1.00E 1.00 0.00 0.00 0.00 0 44.9564586 352558.828
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 4.165746390D+04 8.270420720D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 4.165746390D+04 8.270420720D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 4.165746390D+04 8.270420720D+00
ScO D0,Props(extrap):Gurvich,1982 pt1 p140 pt2 p143.
3 tpis89 SC 1.00O 1.00 0.00 0.00 0.00 0 60.9553100 -55065.294
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8787.106
-3.136784613D+03 2.271981685D+02 8.850757320D-01 1.052430774D-02-1.431954596D-05
9.652351070D-09-2.586210633D-12 -8.550798770D+03 2.012706847D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8787.106
1.224192443D+06-3.918915720D+03 8.679848810D+00-1.995893306D-03 4.066989850D-07
-1.504459913D-11-8.472998900D-16 1.677322594D+04-2.951656272D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8787.106
5.435720930D+08-2.629571561D+05 4.324788690D+01-8.590816240D-04-1.205059380D-07
6.918221540D-12-1.109417319D-16 2.162498313D+06-3.650332350D+02
ScO+ D0,Estim.cons:Gurvich,1982 pt1 p142 pt2 p145.
3 g10/99 SC 1.00O 1.00E -1.00 0.00 0.00 0 60.9547614 561209.966
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8777.066
4.588560270D+04-3.367114370D+02 3.527206400D+00 3.988850300D-03-5.568985430D-06
3.650281190D-09-9.356491500D-13 6.838350790D+04 4.339812700D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8777.066
-1.814357141D+06 5.853425320D+03-3.657101210D+00 5.734364510D-03-2.092878161D-06
3.695645020D-10-2.214038347D-14 2.955364078D+04 5.660889410D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8777.066
4.395803280D+09-2.670232109D+06 6.250769670D+02-6.991767580D-02 4.175372710D-06
-1.274326266D-10 1.571603736D-15 2.130530393D+07-5.428823800D+03
ScO2 Gurvich,1982 pt1 p143 pt2 p147.
2 tpis82 SC 1.00O 2.00 0.00 0.00 0.00 0 76.9547100 -413650.667
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10752.133
4.794700960D+04-4.298358590D+02 3.417206500D+00 1.361338544D-02-2.047465023D-05
1.455906041D-08-4.038087690D-12 -4.861049530D+04 7.670013330D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10752.133
-1.903902542D+05-2.315588820D+02 7.172104910D+00-6.859209640D-05 1.510998557D-08
-1.727951588D-12 7.988980500D-17 -5.112974750D+04-1.090764597D+01
Sc2O Gurvich,1982 pt1 p144 pt2 p148.
2 tpis82 SC 2.00O 1.00 0.00 0.00 0.00 0 105.9112200 -23044.208
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11709.844
2.550002615D+04-3.077608607D+02 4.671215040D+00 8.696142250D-03-1.283873116D-05
8.988966810D-09-2.461994147D-12 -2.614951944D+03 2.920017180D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11709.844
-1.350880396D+05-1.854540692D+02 7.138294080D+00-5.529432140D-05 1.221589315D-08
-1.400490463D-12 6.488858110D-17 -4.240235140D+03-9.372710950D+00
Sc2O2 Gurvich,1982 pt1 p145 pt2 p149.
2 tpis82 SC 2.00O 2.00 0.00 0.00 0.00 0 121.9106200 -490571.020
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13133.780
3.468445490D+03 2.617988314D+02-3.052099624D-01 3.076104070D-02-4.183478360D-05
2.794218425D-08-7.412672050D-12 -6.144013210D+04 2.915248555D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13133.780
-2.977348677D+05-5.803677920D+02 1.043318377D+01-1.734165462D-04 3.836089790D-08
-4.403078030D-12 2.042208922D-16 -5.964866280D+04-2.855828369D+01
Si Hf:Cox,1989. NIST data version1.1 [Online]1997. Gordon,1999.
3 g 8/97 SI 1.00 0.00 0.00 0.00 0.00 0 28.0855000 450000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7550.258
9.836140810D+01 1.546544523D+02 1.876436670D+00 1.320637995D-03-1.529720059D-06
8.950562770D-10-1.952873490D-13 5.263510310D+04 9.698288880D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7550.258
-6.169298850D+05 2.240683927D+03-4.448619320D-01 1.710056321D-03-4.107714160D-07
4.558884780D-11-1.889515353D-15 3.953558760D+04 2.679668061D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7550.258
-9.286548940D+08 5.443989890D+05-1.206739736D+02 1.359662698D-02-7.606498660D-07
2.149746065D-11-2.474116774D-16 -4.293792120D+06 1.086382839D+03
Si+ Martin,W.C.,1983. Gordon,1999.
3 g 4/97 SI 1.00E -1.00 0.00 0.00 0.00 0 28.0849514 1242508.045
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7342.945
-4.329791880D+04 6.795894490D+02 2.257046144D-01 4.118600490D-03-4.234881600D-06
2.327995626D-09-5.318388059D-13 1.452039813D+05 1.934650510D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7342.945
5.919390230D+04-4.856730950D+01 2.556312024D+00-3.503397160D-05 1.190298787D-08
-2.082923821D-12 1.471452049D-16 1.491431392D+05 5.244267140D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7342.945
-4.364077210D+07 2.434350601D+04-2.763336522D+00 5.924483200D-04-4.454048310D-08
2.509351585D-12-5.090212919D-17 -4.683214410D+04 5.196564190D+01
Si- Chase,1998 p1887 3/83. EA:Hotop,1985. Gordon,1999.
3 g 4/97 SI 1.00E 1.00 0.00 0.00 0.00 0 28.0860486 308817.528
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-7.940146670D+02 5.567418420D+00 2.499837183D+00-9.481394460D-05 3.171246930D-07
-4.191323180D-10 2.035924380D-13 3.636443380D+04 5.270119840D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-6.162070100D+06 1.883310402D+04-1.899302450D+01 1.111021657D-02-2.535790208D-06
2.699962923D-10-1.105062911D-14 -8.314089310D+04 1.595298253D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-5.429517960D+07 3.297105700D+04-2.470579690D+00 3.966577600D-04-1.764141255D-08
4.115769760D-13-3.904369380D-18 -2.315881505D+05 5.226601830D+01
SiBr Gurvich,1991 pt1 p280 pt2 p249.
2 tpis91 SI 1.00BR 1.00 0.00 0.00 0.00 0 107.9895000 175157.421
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10035.121
7.370283350D+03-5.051062960D+02 8.280591040D+00-1.005383920D-02 1.357050920D-05
-9.115449900D-09 2.447477685D-12 2.184405475D+04-1.662032657D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10035.121
1.317799940D+06-3.669795020D+03 8.511686120D+00-1.987602041D-03 5.035414890D-07
-4.490120190D-11 8.235670070D-16 4.332851550D+04-2.467075472D+01
SiBr2 Gurvich,1991 pt1 p281 pt2 p250.
2 tpis91 SI 1.00BR 2.00 0.00 0.00 0.00 0 187.8935000 -51000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13317.161
2.386616151D+04-6.415693470D+02 9.345879110D+00-4.792904140D-03 5.582538470D-06
-3.455312380D-09 8.800338940D-13 -5.014757020D+03-1.740767596D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13317.161
-5.147343940D+04-1.277719997D+01 7.010202240D+00-4.296331860D-06 9.877651970D-10
-1.168133105D-13 5.546681380D-18 -8.319542250D+03-3.611826610D+00
SiBr3 Gurvich,1991 pt1 p282 pt2 p251.
2 tpis91 SI 1.00BR 3.00 0.00 0.00 0.00 0 267.7975000 -157000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17461.440
3.972806860D+04-1.066475023D+03 1.380836232D+01-7.641114720D-03 8.775865830D-06
-5.372430850D-09 1.356453455D-12 -1.651795623D+04-3.784055370D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17461.440
-8.888024740D+04-2.267879074D+01 1.001791167D+01-7.481150750D-06 1.709242690D-09
-2.011596627D-13 9.515534150D-18 -2.203026938D+04-1.537574366D+01
SiBr4 Gurvich,1991 pt1 p283 pt2 p252.
2 tpis91 SI 1.00BR 4.00 0.00 0.00 0.00 0 347.7015000 -415800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22313.721
6.821086740D+04-1.520370776D+03 1.810453360D+01-9.734688420D-03 1.072367466D-05
-6.343858290D-09 1.557228200D-12 -4.616585210D+04-5.976120630D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22313.721
-1.271409281D+05-3.768087950D+01 1.302910642D+01-1.194958251D-05 2.693843051D-09
-3.137193207D-13 1.471642663D-17 -5.408998830D+04-2.940384330D+01
SiC Gurvich,1991 pt1 p301 pt2 p265.
2 tpis91 SI 1.00C 1.00 0.00 0.00 0.00 0 40.0962000 734946.140
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9217.111
-6.223330890D+03 3.141790457D+02 3.893130830D-01 1.187507540D-02-1.639277197D-05
1.131808223D-08-3.045324231D-12 8.606227730D+04 2.310166717D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9217.111
-6.268806030D+04 7.209836920D+02 2.162879732D+00 2.201299585D-03-6.569466590D-07
9.177110260D-11-4.969166740D-15 8.321225850D+04 1.601675317D+01
SiC2 Gurvich,1991 pt1 p302 pt2 p266.
2 tpis91 SI 1.00C 2.00 0.00 0.00 0.00 0 52.1069000 631360.938
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11685.409
-4.119628990D+04 6.869747180D+02 2.361343691D-02 1.532939217D-02-1.435588838D-05
6.375228740D-09-1.059204957D-12 7.130890710D+04 2.828850316D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11685.409
7.026893090D+06-2.466148437D+04 3.915453030D+01-2.002884068D-02 6.307353690D-06
-8.848383510D-10 4.530549850D-14 2.267325155D+05-2.366622024D+02
SiCL Gurvich,1991 pt1 p271 pt2 p243.
2 tpis91 SI 1.00CL 1.00 0.00 0.00 0.00 0 63.5385000 142363.219
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9884.119
1.248508319D+04-2.044170347D+02 4.977070850D+00-5.160756260D-04 2.931980374D-07
-3.666615230D-12-3.393037130D-14 1.686528019D+04-2.263957240D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9884.119
3.767294560D+05-1.147956509D+03 5.735408430D+00-5.784890810D-04 1.517304648D-07
-1.291391394D-11 1.554628420D-16 2.306278401D+04-6.098515228D+00
SiCL2 Gurvich,1991 pt1 p273 pt2 p244.
2 tpis91 SI 1.00CL 2.00 0.00 0.00 0.00 0 98.9915000 -163069.287
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12529.294
5.305550970D+04-1.015842786D+03 1.032848185D+01-6.212267520D-03 6.715825400D-06
-3.908801640D-09 9.461732150D-13 -1.650218093D+04-2.649925756D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12529.294
-8.050871570D+04-2.661025523D+01 7.020414720D+00-8.335824720D-06 1.871092411D-09
-2.171552767D-13 1.015849895D-17 -2.181294885D+04-6.638764238D+00
SiCL3 Gurvich,1991 pt1 p275 pt2 p245.
2 tpis91 SI 1.00CL 3.00 0.00 0.00 0.00 0 134.4445000 -336271.670
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15717.467
8.691708460D+04-1.677556857D+03 1.511519060D+01-8.937031000D-03 9.097353530D-06
-5.014579960D-09 1.155962016D-12 -3.477477300D+04-5.087215506D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15717.467
-1.477180114D+05-5.335200980D+01 1.004043521D+01-1.635121060D-05 3.641940110D-09
-4.200600590D-13 1.955201587D-17 -4.360571650D+04-2.006632444D+01
SiCL4 Gurvich,1991 pt1 p276 pt2 p246.
2 tpis91 SI 1.00CL 4.00 0.00 0.00 0.00 0 169.8975000 -662200.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19455.438
1.171646285D+05-2.185821461D+03 1.908250496D+01-9.636335720D-03 8.836847690D-06
-4.360042400D-09 8.940232430D-13 -7.212802110D+04-7.301532221D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19455.438
-2.100330761D+05-8.476107710D+01 1.306364027D+01-2.554020420D-05 5.653818470D-09
-6.488752670D-13 3.008025543D-17 -8.372268130D+04-3.592584781D+01
SiF Gurvich,1991 pt1 p264 pt2 p238.
2 tpis91 SI 1.00F 1.00 0.00 0.00 0.00 0 47.0839032 -25232.686
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9456.114
1.478223768D+04 1.357998649D+01 2.324182643D+00 7.132851180D-03-1.022951215D-05
7.148396470D-09-1.964689785D-12 -3.995380650D+03 1.231128121D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9456.114
-3.653637880D+05 8.722860040D+02 3.377218270D+00 7.508152430D-04-2.308898619D-07
3.766781800D-11-2.143080403D-15 -1.011697664D+04 8.968132820D+00
SiFCL Gurvich,1991 pt1 p279 pt2 p248.
2 tpis91 SI 1.00F 1.00CL 1.00 0.00 0.00 0 82.5369032 -377826.516
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11832.884
4.176954640D+04-5.926575380D+02 6.409770710D+00 4.641682610D-03-7.978461910D-06
6.008728370D-09-1.720953157D-12 -4.398296070D+04-6.259737448D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11832.884
-1.284698945D+05-1.247550173D+02 7.092893850D+00-3.707311770D-05 8.175173010D-09
-9.356435210D-13 4.328544340D-17 -4.723309720D+04-8.337392708D+00
SiF2 Gurvich,1991 pt1 p266 pt2 p239.
2 tpis91 SI 1.00F 2.00 0.00 0.00 0.00 0 66.0823064 -592838.108
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11204.470
4.053236650D+04-3.997637560D+02 4.055303880D+00 1.153423049D-02-1.757586754D-05
1.260369111D-08-3.517105220D-12 -7.047770460D+04 3.879854420D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11204.470
-1.675200202D+05-1.846212090D+02 7.136986350D+00-5.450769860D-05 1.199012961D-08
-1.369470187D-12 6.324889990D-17 -7.287401020D+04-1.117933348D+01
SiF3 Gurvich,1991 pt1 p268 pt2 p240
2 tpis91 SI 1.00F 3.00 0.00 0.00 0.00 0 85.0807096 -996436.577
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13018.554
5.755369980D+04-7.179595770D+02 5.379396940D+00 1.813065142D-02-2.738373356D-05
1.946519470D-08-5.390790560D-12 -1.177631169D+05-3.442902040D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13018.554
-2.903283702D+05-3.427876940D+02 1.025536335D+01-1.019796690D-04 2.250326132D-08
-2.577117181D-12 1.192923177D-16 -1.218088967D+05-2.725261142D+01
SiF4 Johnson,1986. McDowell,1982. Chase,1998 p1190 (6/76).
2 g 6/01 SI 1.00F 4.00 0.00 0.00 0.00 0 104.0791128 -1615780.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15365.713
1.069670784D+04-9.569638640D+01 2.513988593D+00 3.309781030D-02-4.573044080D-05
3.091834452D-08-8.269304050D-12 -1.956252529D+05 1.133722022D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15365.713
-3.845892320D+05-6.569979910D+02 1.348925720D+01-5.100471360D-05 5.346329580D-08
-4.959598110D-12 2.299314375D-16 -1.957284479D+05-4.673894650D+01
SiH Gurvich,1991 pt1 p257 pt2 p234.
2 tpis91 SI 1.00H 1.00 0.00 0.00 0.00 0 29.0934400 368636.210
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9145.110
-6.426676300D+03 7.417251210D+01 3.973491600D+00-4.149408880D-03 1.022918384D-05
-8.592386360D-09 2.567093743D-12 4.281745800D+04 2.246937150D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9145.110
4.042086490D+05-2.364796524D+03 7.627499140D+00-2.496591233D-03 1.108436410D-06
-1.943991955D-10 1.136251507D-14 5.704737680D+04-2.448054429D+01
SiH+ Chase,1998 p1308.
2 j12/71 SI 1.00H 1.00E -1.00 0.00 0.00 0 29.0928914 1147671.167
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8654.261
-4.307157170D+04 3.884958240D+02 2.546166863D+00-6.686325980D-04 5.186277020D-06
-4.818569740D-09 1.445702640D-12 1.349079707D+05 9.027950090D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8654.261
1.711692033D+05-1.045807287D+03 4.838648240D+00 1.277940891D-04-6.883872450D-08
1.418843480D-11-7.855316960D-16 1.431721450D+05-7.553299140D+00
SiHBr3 Chase,1998 p514.
2 j12/76 SI 1.00H 1.00BR 3.00 0.00 0.00 0 268.8054400 -302922.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17823.429
1.322811122D+05-2.205365507D+03 1.775084194D+01-1.047794569D-02 1.286821723D-05
-7.743124260D-09 1.819060891D-12 -2.834992682D+04-6.331199540D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17823.429
2.199973526D+05-2.024458552D+03 1.435781007D+01-5.037015840D-04 1.054049755D-07
-1.160828765D-11 5.217257680D-16 -2.842086214D+04-4.536437170D+01
SiHCL Gurvich,1991 pt1 p277 pt2 p247.
2 tpis91 SI 1.00H 1.00CL 1.00 0.00 0.00 0 64.5464400 54945.913
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10665.413
5.909673050D+04-8.780064030D+02 7.999687930D+00-4.663141270D-03 8.594986000D-06
-6.608073550D-09 1.868076396D-12 9.567570340D+03-1.690014311D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10665.413
1.012152890D+05-1.163239598D+03 7.376366550D+00 1.874151313D-04-1.661351093D-07
3.964414040D-11-2.640580080D-15 1.141064087D+04-1.507678798D+01
SiHCL3 Chase,1998 880.
2 j12/76 SI 1.00H 1.00CL 3.00 0.00 0.00 0 135.4524400 -496222.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16151.608
1.659565586D+05-2.552498122D+03 1.750117375D+01-7.885728660D-03 8.092567490D-06
-3.980420600D-09 7.059173320D-13 -4.951316600D+04-6.758519053D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16151.608
1.728644072D+05-2.116727327D+03 1.441802307D+01-5.255249620D-04 1.098826178D-07
-1.209327059D-11 5.432187050D-16 -5.130351940D+04-5.036360893D+01
SiHF Gurvich,1991 pt1 p270 pt2 p242.
2 tpis91 SI 1.00H 1.00F 1.00 0.00 0.00 0 48.0918432 -162657.169
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10230.231
2.192598671D+04-6.175229080D+01 2.127372739D+00 1.123538312D-02-1.322503985D-05
8.307307390D-09-2.010545971D-12 -2.016994845D+04 1.367184876D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10230.231
4.049752240D+06-9.295526820D+03 1.071754366D+01 1.868124220D-03-1.129820372D-06
1.960250100D-10-1.144682011D-14 4.133225200D+04-4.736317600D+01
SiHF3 Chase,1998 p1160.
2 j 6/76 SI 1.00H 1.00F 3.00 0.00 0.00 0 86.0886496 -1200808.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13544.634
8.325879390D+04-8.178594460D+02 4.041717240D+00 2.726104628D-02-3.787831480D-05
2.630589305D-08-7.289582500D-12 -1.416146961D+05 1.382806532D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13544.634
7.820100800D+04-2.592742261D+03 1.475104214D+01-6.531047200D-04 1.372428937D-07
-1.516371051D-11 6.832497150D-16 -1.336611887D+05-5.851450950D+01
SiHI3 Chase,1998 p1266.
2 j12/76 SI 1.00H 1.00I 3.00 0.00 0.00 0 409.8068500 -74475.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19135.424
1.113840054D+05-1.974457175D+03 1.791396249D+01-1.219208519D-02 1.613169233D-05
-1.038096942D-08 2.613287761D-12 -2.256377425D+03-5.995455130D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19135.424
2.279424252D+05-1.898603142D+03 1.428134804D+01-4.776026950D-04 1.003097496D-07
-1.107859145D-11 4.990338200D-16 -1.614547674D+03-4.122943070D+01
SiH2 Gurvich,1991 pt1 p260. Fredin,1985. Dubois,1968.
2 g 3/01 SI 1.00H 2.00 0.00 0.00 0.00 0 30.1013800 273332.530
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10018.102
-2.063863564D+04 3.305862200D+02 2.099271145D+00 3.542539370D-03 3.378876670D-06
-5.383845620D-09 2.081191273D-12 3.011784298D+04 1.282333570D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10018.102
4.624039370D+06-1.143436110D+04 1.264880870D+01 9.114899500D-04-8.766611540D-07
1.646297357D-10-9.965090370D-15 1.072475101D+05-6.606078070D+01
SiH2Br2 Chase,1998 p481.
2 j12/76 SI 1.00H 2.00BR 2.00 0.00 0.00 0 189.9093800 -190372.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14272.222
1.651528003D+05-2.468145554D+03 1.608639427D+01-9.413840900D-03 1.407423872D-05
-9.240751450D-09 2.255641666D-12 -1.276482614D+04-5.945374320D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14272.222
5.665851440D+05-3.973919620D+03 1.567387912D+01-9.943802290D-04 2.084856022D-07
-2.299521351D-11 1.034736283D-15 -2.990690180D+03-6.190476520D+01
SiH2CL2 Chase,1998 p823.
2 j12/76 SI 1.00H 2.00CL 2.00 0.00 0.00 0 101.0073800 -320494.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13384.948
1.894281754D+05-2.650960252D+03 1.549874174D+01-6.533130750D-03 9.306098260D-06
-5.639698670D-09 1.213664264D-12 -2.720912007D+04-6.006331649D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13384.948
5.400204580D+05-4.062337290D+03 1.573118788D+01-1.015038389D-03 2.127060243D-07
-2.345079226D-11 1.054871984D-15 -1.823098225D+04-6.544540499D+01
SiH2F2 Chase,1998 p1108.
2 j 6/76 SI 1.00H 2.00F 2.00 0.00 0.00 0 68.0981864 -790776.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11988.206
1.272188427D+05-1.241724310D+03 4.899435890D+00 2.123882008D-02-2.725708700D-05
1.860857446D-08-5.226604330D-12 -8.980466920D+04-5.111815500D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11988.206
4.726534080D+05-4.388517690D+03 1.596032597D+01-1.102993658D-03 2.315838331D-07
-2.556974559D-11 1.151499711D-15 -7.316184460D+04-7.098989270D+01
SiH2I2 Chase,1998 p1313.
2 j12/76 SI 1.00H 2.00I 2.00 0.00 0.00 0 283.9103200 -38074.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14917.266
1.539963319D+05-2.414436989D+03 1.684409354D+01-1.212037580D-02 1.808453226D-05
-1.207740133D-08 3.040799276D-12 5.073073250D+03-6.098720820D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14917.266
5.942390830D+05-3.924814480D+03 1.563850289D+01-9.805706340D-04 2.054871384D-07
-2.265587199D-11 1.019168663D-15 1.513627352D+04-5.940812520D+01
SiH3 Gurvich,1991 pt1 p261 pt2 p236.
2 g 3/99 SI 1.00H 3.00 0.00 0.00 0.00 0 31.1093200 204357.366
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10276.989
4.341142820D+03 2.277185085D+02 6.508250350D-01 1.221438558D-02-4.347604270D-06
-1.774916828D-09 1.184191367D-12 2.259993826D+04 1.968347482D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10276.989
6.056321220D+05-4.721254060D+03 1.329129523D+01-1.256824868D-03 2.688285940D-07
-3.010741582D-11 1.370945857D-15 4.974420640D+04-6.140503100D+01
SiH3Br Chase,1998 p439.
2 j12/76 SI 1.00H 3.00BR 1.00 0.00 0.00 0 111.0133200 -78241.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11769.378
1.521065525D+05-1.987744479D+03 1.131460743D+01-1.806099407D-03 7.769262470D-06
-6.233478170D-09 1.585331846D-12 -9.248868880D+02-3.846463690D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11769.378
9.279285780D+05-5.917935790D+03 1.699209298D+01-1.487507364D-03 3.123451161D-07
-3.449071470D-11 1.553431675D-15 2.241560128D+04-7.948611590D+01
SiH3CL Chase,1998 p764.
2 j12/76 SI 1.00H 3.00CL 1.00 0.00 0.00 0 66.5623200 -141838.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11440.706
1.633388301D+05-2.030302118D+03 1.068016138D+01 4.942370140D-04 4.305174760D-06
-3.748327270D-09 8.893504210D-13 -8.180714980D+03-3.688956824D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11440.706
9.087780940D+05-5.958949560D+03 1.702076016D+01-1.498450667D-03 3.146813781D-07
-3.475168460D-11 1.565281681D-15 1.493793206D+04-8.127277864D+01
SiH3F Chase,1998 p1058.
2 j 6/76 SI 1.00H 3.00F 1.00 0.00 0.00 0 50.1077232 -376560.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10931.622
1.267836290D+05-1.177593516D+03 4.499188960D+00 1.658543011D-02-1.678598921D-05
1.019153931D-08-2.803920232D-12 -4.010392970D+04-4.481080920D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10931.622
8.624313170D+05-6.103370570D+03 1.712733597D+01-1.540724131D-03 3.239628720D-07
-3.581056890D-11 1.614151380D-15 -1.261487616D+04-8.399227210D+01
SiH3I Chase,1998 p1342.
2 j12/76 SI 1.00H 3.00I 1.00 0.00 0.00 0 158.0137900 -2092.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12078.229
1.459384799D+05-1.982982746D+03 1.196516737D+01-3.937505950D-03 1.087991733D-05
-8.433135920D-09 2.196078188D-12 8.063208310D+03-4.064553320D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12078.229
9.361149180D+05-5.859720290D+03 1.695376698D+01-1.473497130D-03 3.094475885D-07
-3.417462470D-11 1.539334807D-15 3.127499231D+04-7.801700080D+01
SiH4 Silane. Gurvich,1991 pt1 p263 pt 2 p237.
2 tpis91 SI 1.00H 4.00 0.00 0.00 0.00 0 32.1172600 34700.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10535.001
7.872993290D+04-5.526087050D+02 2.498944303D+00 1.442118274D-02-8.467107310D-06
2.726164641D-09-5.436754370D-13 6.269669060D+03 4.965461830D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10535.001
1.290378740D+06-7.813399780D+03 1.828851664D+01-1.975620946D-03 4.156502150D-07
-4.596745610D-11 2.072777131D-15 4.766887950D+04-9.801697460D+01
SiI Gurvich,1991 pt1 p284 pt2 p253.
2 tpis91 SI 1.00I 1.00 0.00 0.00 0.00 0 154.9899700 262953.420
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9941.120
9.492081340D+04-1.573960062D+03 1.237908109D+01-1.593864820D-02 1.692049005D-05
-9.215558320D-09 2.046186848D-12 3.779735670D+04-4.066407850D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9941.120
8.529402790D+05-2.442039471D+03 7.722977520D+00-1.985601243D-03 6.542866630D-07
-9.494158290D-11 4.890041370D-15 4.578160940D+04-1.733975081D+01
SiI2 Chase,1998 p1432.
2 j12/76 SI 1.00I 2.00 0.00 0.00 0.00 0 281.8944400 92466.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13792.515
1.163352403D+04-4.514482170D+02 8.707978130D+00-3.580664930D-03 4.253714430D-06
-2.673478266D-09 6.891558980D-13 1.126247142D+04-1.155818335D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13792.515
1.002168907D+04 1.433017148D+01 6.701330550D+00 3.960769900D-04-2.073866165D-07
4.553457100D-11-3.016798280D-15 9.007368100D+03 2.887336913D-01
SiN Gurvich,1991 pt1 p295 pt2 p261.
2 g 5/99 SI 1.00N 1.00 0.00 0.00 0.00 0 42.0922000 403668.437
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8736.137
-1.464672152D+04 1.374993497D+02 3.678508580D+00-6.158499200D-03 2.309417067D-05
-2.294461481D-08 7.395665680D-12 4.673212990D+04 6.494564115D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8736.137
-2.932685132D+06 5.853688590D+03 1.321451677D+00 1.258329284D-03-3.773886360D-07
6.887761040D-11-4.189842590D-15 6.527148810D+03 2.553145732D+01
SiO Gurvich,1991 pt1 p247 pt2 p227
2 tpis91 SI 1.00O 1.00 0.00 0.00 0.00 0 44.0849000 -98842.418
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8715.105
-4.722771050D+04 8.063137640D+02-1.636976133D+00 1.454275546D-02-1.723202046D-05
1.042397340D-08-2.559365273D-12 -1.666585903D+04 3.355795700D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8715.105
-1.765134162D+05-3.199177090D+01 4.477441930D+00 4.591764710D-06 3.558143150D-08
-1.327012559D-11 1.613253297D-15 -1.350842360D+04-8.386957330D-01
SiO2 Gurvich,1991 pt1 p256 pt2 p233.
2 tpis91 SI 1.00O 2.00 0.00 0.00 0.00 0 60.0843000 -322073.477
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10542.523
-3.362948780D+04 4.734078920D+02 2.309770671D-01 1.850230806D-02-2.242786671D-05
1.364981554D-08-3.351935030D-12 -4.226487490D+04 2.295803206D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10542.523
-1.464031193D+05-6.261441060D+02 7.964563710D+00-1.854119096D-04 4.095214670D-08
-4.697206760D-12 2.178054280D-16 -3.791834770D+04-2.045285414D+01
SiS Gurvich,1991 pt1 p290 pt2 p258.
2 tpis91 SI 1.00S 1.00 0.00 0.00 0.00 0 60.1505000 108194.407
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8932.107
3.599449290D+04-4.239723300D+02 4.654014420D+00 1.588470782D-03-3.310254360D-06
2.706096479D-09-8.113517820D-13 1.411515571D+04-1.183201858D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8932.107
-2.102323897D+06 6.228836180D+03-3.004120882D+00 4.495499930D-03-1.368821364D-06
1.998097253D-10-9.882035800D-15 -2.795538166D+04 5.405828786D+01
SiS2 Gurvich,1991 pt1 p294 pt2 p260.
2 tpis91 SI 1.00S 2.00 0.00 0.00 0.00 0 92.2155000 7022.717
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12203.217
4.397745660D+04-7.430013120D+02 7.941588360D+00 2.038083730D-03-4.646337600D-06
3.848014360D-09-1.157260149D-12 2.801077853D+03-1.736888325D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12203.217
-1.266489071D+05-9.774235220D+01 7.572803680D+00-2.905413928D-05 6.405587840D-09
-7.329273340D-13 3.389819780D-17 -1.244672263D+03-1.352710463D+01
Si2 Gurvich,1991 pt1 p240 pt2 p225.
2 tpis91 SI 2.00 0.00 0.00 0.00 0.00 0 56.1710000 580195.524
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10296.124
1.237596221D+04-1.024904376D+02 4.354848520D+00 1.281063335D-03-2.531991623D-06
2.265694244D-09-7.001290140D-13 6.906942850D+04 3.251125200D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10296.124
1.370060657D+06-4.207060040D+03 9.337432890D+00-2.749217168D-03 9.586345960D-07
-1.372449748D-10 6.765028100D-15 9.510884540D+04-3.168385190D+01
Si2C Gurvich,1991 pt1 p304 pt2 p267.
2 tpis91 SI 2.00C 1.00 0.00 0.00 0.00 0 68.1817000 554093.904
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11582.346
-4.553366200D+03 1.314796415D+02 2.469106923D+00 1.276520680D-02-1.656910776D-05
1.065289663D-08-2.739192976D-12 6.470049920D+04 1.468838980D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11582.346
-1.253829442D+05-3.414277790D+02 7.254365330D+00-1.017635503D-04 2.250902158D-08
-2.584074852D-12 1.198884876D-16 6.608009380D+04-1.146216579D+01
Si2F6 Lyman,2001.
2 g 6/01 SI 2.00F 6.00 0.00 0.00 0.00 0 170.1614192 -2383290.080
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26694.292
1.580767450D+04-2.975292881D+02 7.512591500D+00 4.552796230D-02-6.421876840D-05
4.357408730D-08-1.166762282D-11 -2.886707444D+05-7.721784770D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26694.292
-9.186303140D+05 1.573948683D+02 2.141256129D+01-2.681898667D-04 7.212280110D-08
-9.184252660D-12 4.537238360D-16 -2.966176753D+05-7.849022470D+01
Si2N Chase,1998 p1611.
2 j 3/67 SI 2.00N 1.00 0.00 0.00 0.00 0 70.1777000 397480.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11822.188
2.318271938D+04-3.674843790D+02 5.409658600D+00 8.176389400D-03-1.220312934D-05
8.580609100D-09-2.354927059D-12 4.809278030D+04-3.042205654D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11822.188
-2.805026986D+05 2.502366876D+02 7.092456100D+00 2.853120795D-04-9.792101810D-08
1.552154244D-11-8.036260450D-16 4.342014790D+04-1.009570910D+01
Si3 Gurvich,1991 pt1 p246 pt2 p226.
2 g 7/95 SI 3.00 0.00 0.00 0.00 0.00 0 84.2565000 627867.381
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12519.793
-1.114208177D+04 1.575785843D+02 2.486135003D+00 1.631637255D-02-2.208240021D-05
1.372008287D-08-3.262330700D-12 7.328253850D+04 1.588081347D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12519.793
-1.699395561D+06 4.697815380D+03 2.618198124D+00 1.959082075D-03-2.581160603D-07
6.103444860D-12 6.086309240D-16 4.277916810D+04 2.586540384D+01
Sn Hf:Cox,1989. Moore,1971. Gordon,1999.
3 g 7/97 SN 1.00 0.00 0.00 0.00 0.00 0 118.7100000 301200.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6214.713
-1.248692263D+05 1.618841190D+03-4.602397350D+00 1.045433308D-02 2.998265550D-06
-1.068699386D-08 4.323421310D-12 2.748364008D+04 4.805067230D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6214.713
-5.145695640D+06 1.140575108D+04-4.179632060D+00 2.236390679D-03-3.603219770D-07
2.440237836D-11-2.937628285D-16 -4.215013570D+04 5.981450930D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6214.713
-1.119787114D+09 6.427046040D+05-1.378615913D+02 1.453867222D-02-7.109586030D-07
1.501409263D-11-8.940758657D-17 -5.111296870D+06 1.245625545D+03
Sn+ Moore,1971. Gordon,1999.
3 g 7/97 SN 1.00E -1.00 0.00 0.00 0.00 0 118.7094514 1015949.928
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-5.571297780D+03 1.222323189D+02 1.566361415D+00 3.397061410D-03-6.312922290D-06
5.585452080D-09-1.689021340D-12 1.209024120D+05 1.162634765D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
4.622916850D+06-1.185958712D+04 1.237026473D+01-2.773624217D-03 3.098513490D-07
-5.362951440D-12-8.663474691D-16 1.994322977D+05-6.837108280D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.913728057D+08-1.145730242D+05 3.070294184D+01-3.387878800D-03 1.966377351D-07
-4.388396290D-12 2.057062343D-17 1.031631149D+06-2.370157923D+02
Sn- Hotop,1985. Gordon,1999.
3 g 9/97 SN 1.00E 1.00 0.00 0.00 0.00 0 118.7105486 179495.949
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6490.449
2.722796000D+05-3.369935800D+03 1.743906405D+01-2.810527618D-02 2.790684767D-05
-1.442400675D-08 3.070159757D-12 3.753227750D+04-8.007856970D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6490.449
-6.447713220D+04 7.430555100D+02 1.921380256D+00 2.361623997D-04-5.280668360D-08
6.102339380D-12-2.843422486D-16 1.645739414D+04 1.265436865D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6490.449
-1.314284778D+06 8.972354270D+02 2.302354538D+00 2.246840970D-05-1.392571963D-09
4.468904450D-14-5.811846560D-19 1.428800599D+04 1.004933765D+01
SnBr Gurvich,1991 pt1 p378 pt2 p321.
2 tpis91 SN 1.00BR 1.00 0.00 0.00 0.00 0 198.6140000 75644.020
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9986.120
2.564193542D+04-5.259122330D+02 7.687410690D+00-9.654205420D-03 1.482863248D-05
-9.942236980D-09 2.475051091D-12 1.020483889D+04-1.126550396D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9986.120
1.815578541D+06-6.728264580D+03 1.332464516D+01-4.608102300D-03 1.236439537D-06
-1.528863587D-10 6.971513500D-15 4.925583090D+04-5.640962780D+01
SnBr2 Gurvich,1991 pt1 p380 pt2 p323.
2 tpis91 SN 1.00BR 2.00 0.00 0.00 0.00 0 278.5180000 -118974.592
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14595.408
-4.995753060D+03-1.366498896D+02 7.543563850D+00-1.181772507D-03 1.442445852D-06
-9.254217260D-10 2.423731634D-13 -1.575506969D+04-3.595584020D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14595.408
-1.940894091D+04-2.335607932D+00 7.001969260D+00-8.622241870D-07 2.039869794D-10
-2.464780359D-14 1.189850894D-18 -1.644828122D+04-4.349354750D-01
SnBr3 Gurvich,1991 pt1 p381 pt2 p324.
2 tpis91 SN 1.00BR 3.00 0.00 0.00 0.00 0 358.4220000 -158716.446
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19280.454
-8.050416470D+03-2.897962523D+02 1.114443355D+01-2.475383807D-03 3.010051350D-06
-1.925695320D-09 5.032605090D-13 -2.070066649D+04-1.895965383D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19280.454
-3.893004530D+04-4.990844170D+00 1.000418437D+01-1.824996910D-06 4.305646660D-10
-5.191887930D-14 2.502455595D-18 -2.217299473D+04-1.229854098D+01
SnBr4 Gurvich,1991 pt1 p384 pt2 p326.
2 tpis91 SN 1.00BR 4.00 0.00 0.00 0.00 0 438.3260000 -324216.982
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25043.018
-5.832840920D+03-4.270198470D+02 1.467466525D+01-3.604263230D-03 4.366686290D-06
-2.785875130D-09 7.265087870D-13 -4.082916450D+04-3.447104360D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25043.018
-5.176812920D+04-7.426126950D+00 1.300619502D+01-2.692587978D-06 6.336759800D-10
-7.627087190D-14 3.671112000D-18 -4.300166340D+04-2.471455118D+01
SnCL Gurvich,1991 pt1 p370 pt2 p315.
2 tpis91 SN 1.00CL 1.00 0.00 0.00 0.00 0 154.1630000 34658.816
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9644.116
3.351549730D+04-6.832208620D+02 8.393917730D+00-1.164434373D-02 1.812159499D-05
-1.261999170D-08 3.295213470D-12 6.051790890D+03-1.667834578D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9644.116
7.741605680D+05-3.602048480D+03 9.749059820D+00-2.596198909D-03 6.367712160D-07
-6.754295570D-11 2.484167602D-15 2.442447662D+04-3.225454098D+01
SnCL2 Gurvich,1991 pt1 p373 pt2 p317.
2 tpis91 SN 1.00CL 2.00 0.00 0.00 0.00 0 189.6160000 -202648.283
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13681.717
9.524665900D+03-4.329845640D+02 8.644720280D+00-3.458409610D-03 4.117852030D-06
-2.592639269D-09 6.692363600D-13 -2.432921127D+04-1.299143851D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13681.717
-3.903588490D+04-7.947962680D+00 7.006487620D+00-2.776594714D-06 6.461341420D-10
-7.119067400D-15 3.688131180D-18 -2.654529653D+04-3.368081174D+00
SnCL3 Gurvich,1991 pt1 p374 pt2 p318.
2 tpis91 SN 1.00CL 3.00 0.00 0.00 0.00 0 225.0690000 -292372.455
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17554.045
1.760076813D+04-8.142805480D+02 1.306326984D+01-6.395596190D-03 7.574624570D-06
-4.749711460D-09 1.222182656D-12 -3.413430960D+04-3.457679670D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17554.045
-7.482966400D+04-1.528523914D+01 1.001240305D+01-5.285581240D-06 1.226095111D-09
-1.459895108D-13 6.968879780D-18 -3.830878270D+04-1.663063137D+01
SnCL4 Gurvich,1991 pt1 p376 pt2 p320.
2 tpis91 SN 1.00CL 4.00 0.00 0.00 0.00 0 260.5220000 -478465.969
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22474.031
4.245967870D+04-1.280574318D+03 1.768445328D+01-9.574779520D-03 1.115620323D-05
-6.907229270D-09 1.759652856D-12 -5.504009040D+04-5.827352999D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22474.031
-1.078336862D+05-2.554305872D+01 1.302040391D+01-8.595125900D-06 1.976570888D-09
-2.337929994D-13 1.110287624D-17 -6.163562030D+04-3.072702622D+01
SnF Gurvich,1991 pt1 p365 pt2 p310.
2 tpis91 SN 1.00F 1.00 0.00 0.00 0.00 0 137.7084032 -95017.090
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9136.110
6.098503520D+04-9.860306290D+02 8.994731210D+00-1.223012156D-02 1.840583578D-05
-1.267926607D-08 3.291331020D-12 -7.882614480D+03-2.221921734D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9136.110
2.589715476D+04-1.484478214D+03 7.378518930D+00-1.324244440D-03 2.847634043D-07
-2.360371345D-11 6.116783710D-16 -4.776688970D+03-1.681202516D+01
SnF2 Gurvich,1991 pt1 p368 pt2 p312.
2 tpis91 SN 1.00F 2.00 0.00 0.00 0.00 0 156.7068064 -510956.951
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12243.049
7.042391850D+04-1.137505955D+03 1.008659352D+01-4.722855930D-03 4.135702920D-06
-1.921143972D-09 3.640760280D-13 -5.756670820D+04-2.571566624D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12243.049
-1.027758772D+05-4.451751620D+01 7.033268760D+00-1.329882797D-05 2.934271938D-09
-3.358415920D-13 1.553358669D-17 -6.362125880D+04-6.810084520D+00
SnF3 Gurvich,1991 pt1 p369 pt2 p313.
2 tpis91 SN 1.00F 3.00 0.00 0.00 0.00 0 175.7052096 -646630.479
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14799.721
1.095555529D+05-1.950557979D+03 1.541407832D+01-8.546518770D-03 7.800551820D-06
-3.825942220D-09 7.787747760D-13 -7.056794920D+04-5.494639480D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14799.721
-1.829319689D+05-7.557358680D+01 1.005671455D+01-2.275132668D-05 5.034695820D-09
-5.776530960D-13 2.677214170D-17 -8.091897590D+04-2.191673972D+01
SnF4 Gurvich,1991 pt1 p369 pt2 p314.
2 tpis91 SN 1.00F 4.00 0.00 0.00 0.00 0 194.7036128 -1024766.717
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18801.983
1.390441119D+05-2.168784371D+03 1.691802917D+01-2.318608529D-03-2.045847976D-06
3.430087900D-09-1.289228860D-12 -1.153563396D+05-6.370604750D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18801.983
-2.635692764D+05-1.445469969D+02 1.310690681D+01-4.237755790D-05 9.286871950D-09
-1.057062694D-12 4.867108680D-17 -1.271539967D+05-3.803921900D+01
SnI Gurvich,1991 pt1 p384 pt2 p327.
2 tpis91 SN 1.00I 1.00 0.00 0.00 0.00 0 245.6144700 172725.022
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10177.122
2.670212235D+04-5.006026350D+02 7.490673150D+00-8.746346550D-03 1.289688397D-05
-8.211344930D-09 1.936120475D-12 2.177249172D+04-9.354806850D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10177.122
-5.554991850D+04-1.530457453D+03 7.932601390D+00-2.108885464D-03 7.809803600D-07
-1.348104887D-10 8.207184700D-15 2.744864953D+04-1.626822892D+01
SnI2 Gurvich,1991 pt1 p387 pt2 p329.
2 tpis91 SN 1.00I 2.00 0.00 0.00 0.00 0 372.5189400 -8066.737
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14883.263
-5.739254890D+03-9.435024450D+01 7.377956660D+00-8.258348940D-04 1.011687040D-06
-6.508451600D-10 1.708186600D-13 -2.622644500D+03-9.605814960D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14883.263
-1.559453390D+04-1.594789414D+00 7.001351160D+00-5.935324240D-07 1.407432564D-10
-1.703457321D-14 8.233611710D-19 -3.100608319D+03 1.235038509D+00
SnI3 Gurvich,1991 pt1 p388 pt2 p330.
2 tpis91 SN 1.00I 3.00 0.00 0.00 0.00 0 499.4234100 -8017.540
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20309.360
-1.069978099D+04-1.387693540D+02 1.055637633D+01-1.216435658D-03 1.490873499D-06
-9.594499630D-10 2.518810438D-13 -3.314229880D+03-1.249558209D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20309.360
-2.517534870D+04-2.348282890D+00 1.000199130D+01-8.752764840D-07 2.076464980D-10
-2.514060336D-14 1.215482266D-18 -4.017055610D+03-9.263908460D+00
SnI4 Gurvich,1991 pt1 p391 pt2 p332.
2 tpis91 SN 1.00I 4.00 0.00 0.00 0.00 0 626.3278800 -118854.043
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26745.957
-1.283146793D+04-1.459885093D+02 1.358634885D+01-1.283554646D-03 1.574557147D-06
-1.013990168D-09 2.663370430D-13 -1.751178045D+04-2.367973168D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26745.957
-2.801840706D+04-2.474699366D+00 1.300210215D+01-9.250962340D-07 2.196515817D-10
-2.661071614D-14 1.287167546D-18 -1.825083832D+04-2.027484281D+01
SnO Gurvich,1991 pt1 p359 pt2 p307.
2 tpis91 SN 1.00O 1.00 0.00 0.00 0.00 0 134.7094000 21911.054
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8874.107
2.547788022D+04-2.293583066D+02 3.421593530D+00 4.713300040D-03-7.365971320D-06
5.379738870D-09-1.519277855D-12 2.853047679D+03 6.673965270D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8874.107
-2.555955548D+06 7.870053500D+03-5.439768730D+00 6.307819180D-03-2.068871370D-06
3.307074880D-10-1.848169716D-14 -4.841663910D+04 7.175952460D+01
SnO2 Gurvich,1991 pt1 p364 pt2 p309.
2 tpis91 SN 1.00O 2.00 0.00 0.00 0.00 0 150.7088000 11680.180
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11795.680
4.707674080D+04-6.114568670D+02 6.117433910D+00 7.514014660D-03-1.238371787D-05
9.220915990D-09-2.632417597D-12 2.981068066D+03-8.144926410D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11795.680
-1.573558926D+05-1.427316788D+02 7.605700760D+00-4.198008530D-05 9.218742430D-09
-1.051372983D-12 4.849579270D-17 -5.234531870D+02-1.428360169D+01
SnS Gurvich,1991 pt1 p394 pt2 p334.
2 tpis91 SN 1.00S 1.00 0.00 0.00 0.00 0 150.7750000 111099.012
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9301.112
2.724877813D+04-4.924126380D+02 6.221654730D+00-3.409406960D-03 3.984913680D-06
-2.470702874D-09 6.339341460D-13 1.452495307D+04-6.791285229D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9301.112
-1.797985129D+06 6.141736320D+03-4.019504880D+00 5.993829180D-03-2.188735204D-06
3.899542000D-10-2.406563630D-14 -2.611349815D+04 6.256820705D+01
SnS2 Gurvich,1991 pt1 p397 pt2 p336.
2 tpis91 SN 1.00S 2.00 0.00 0.00 0.00 0 182.8400000 149645.595
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13635.095
3.877145410D+04-8.486953940D+02 1.042083990D+01-5.686902670D-03 6.373829770D-06
-3.825158100D-09 9.502480960D-13 2.006027952D+04-2.723724769D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13635.095
-6.764084050D+04-1.970189679D+01 7.515333870D+00-6.332559180D-06 1.434207625D-09
-1.676383081D-13 7.886911900D-18 1.565053629D+04-9.922744838D+00
Sn2 Gurvich,1991 pt1 p354 pt2 p305.
2 tpis91 SN 2.00 0.00 0.00 0.00 0.00 0 237.4200000 421343.737
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11373.137
-1.329666654D+05 1.639179787D+03-1.902868972D+00 1.290431677D-02-1.120542242D-05
4.502993860D-09-6.056237770D-13 4.097452710D+04 4.435408030D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11373.137
-4.275783040D+06 1.236421656D+04-8.438336170D+00 7.088056290D-03-1.712012737D-06
1.805262952D-10-7.058656810D-15 -3.001418720D+04 1.005138538D+02
Sr Hf:Gurvich,1996a. Moore,1971. Moore,1970a. Gordon,1999.
3 g 1/98 SR 1.00 0.00 0.00 0.00 0.00 0 87.6200000 160500.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
4.190649840D+00-6.304437580D-02 2.500373027D+00-1.115455943D-06 1.785248643D-09
-1.456209589D-12 4.750132981D-16 1.855852648D+04 5.555772840D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.489414410D+07-4.375335050D+04 5.137266280D+01-2.592566025D-02 6.582990000D-06
-6.949611800D-10 2.417779662D-14 2.977545522D+05-3.454890770D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
5.562233720D+08-6.093193220D+05 2.109096848D+02-3.010063957D-02 2.178021676D-06
-7.824003460D-11 1.109909620D-15 4.579268340D+06-1.752716908D+03
Sr+ Moore,1971. Gordon,1999.
3 g 1/98 SR 1.00E -1.00 0.00 0.00 0.00 0 87.6194514 716166.328
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.127287678D+01-1.346951870D-01 2.500651495D+00-1.635163061D-06 2.249493149D-09
-1.610827539D-12 4.698612333D-16 8.538981180D+04 6.247259240D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
3.145095058D+06-9.514756890D+03 1.350086948D+01-6.059717120D-03 1.594068746D-06
-1.718800946D-10 6.322256169D-15 1.457991907D+05-7.236416930D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
9.016769220D+08-6.244641660D+05 1.695763594D+02-2.154835606D-02 1.462482744D-06
-4.930465390D-11 6.505705019D-16 4.966238870D+06-1.431844579D+03
SrBr Gurvich,1996a pt1 p522 pt2 p402.
3 tpis96 SR 1.00BR 1.00 0.00 0.00 0.00 0 167.5240000 -63917.678
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10107.122
-7.549812420D+02-7.359532010D+01 4.828035810D+00-7.160584650D-04 1.028527433D-06
-6.888370720D-10 1.880257878D-13 -8.686168450D+03 4.151153090D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10107.122
3.009976114D+06-9.193192240D+03 1.526033745D+01-6.009253950D-03 1.692611858D-06
-2.039438429D-10 8.807775840D-15 4.922806130D+04-7.068253830D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10107.122
2.274974243D+08-1.566004653D+05 4.234598410D+01-3.477076740D-03 1.358747452D-07
-2.623018618D-12 1.969298231D-17 1.221445664D+06-3.265840740D+02
SrBr2 Gurvich,1996a pt1 p524 pt2 p404.
2 tpis96 SR 1.00BR 2.00 0.00 0.00 0.00 0 247.4280000 -406725.851
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16334.649
-4.632458660D+03-7.244938640D+01 7.800217160D+00-6.772125310D-04 8.537780240D-07
-5.632351740D-10 1.510568795D-13 -5.082238330D+04-5.285074760D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16334.649
-1.186173059D+04-1.404383013D+00 7.501215570D+00-5.415983190D-07 1.296969275D-10
-1.580911652D-14 7.681582270D-19 -5.118575210D+04-3.552037110D+00
SrCL Gurvich,1996a pt1 p515 pt2 p398.
3 tpis96 SR 1.00CL 1.00 0.00 0.00 0.00 0 123.0730000 -127867.882
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9800.118
3.555346320D+03-1.729385697D+02 5.213451020D+00-1.542910668D-03 2.025835568D-06
-1.327076633D-09 3.547175960D-13 -1.588288066D+04 4.818144784D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9800.118
2.070217324D+06-6.199891730D+03 1.150315072D+01-3.675685460D-03 9.461732350D-07
-9.203765750D-11 2.707242192D-15 2.271471632D+04-4.561058514D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9800.118
1.382269500D+08-9.659524410D+04 2.600419230D+01-1.405193291D-03 2.007238545D-08
7.119698480D-13-2.001316762D-17 7.447979070D+05-1.876849167D+02
SrCL+ Gurvich,1996a pt1 p516 pt2 p399.
3 g 8/98 SR 1.00CL 1.00E -1.00 0.00 0.00 0 123.0724514 408112.162
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9582.762
1.689043529D+03-1.749284676D+02 5.065328640D+00-9.857327840D-04 1.071655138D-06
-5.988127130D-10 1.395650932D-13 4.861190260D+04 2.492001711D-01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9582.762
-2.132475783D+04-4.057948270D+00 4.503149390D+00 3.826202380D-05 2.676951510D-09
5.667610500D-14 1.613288103D-18 4.769326030D+04 3.637722496D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9582.762
-1.041313813D+04-7.208302400D+00 4.501589780D+00 3.937923600D-05 2.394465390D-09
9.062292570D-14 4.723672450D-21 4.772357520D+04 3.647375336D+00
SrCL2 Gurvich,1996a pt1 p520 pt2 p401.
2 tpis96 SR 1.00CL 2.00 0.00 0.00 0.00 0 158.5260000 -484813.902
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14416.098
1.913170011D+03-2.681156951D+02 8.081334300D+00-2.393329295D-03 2.976397494D-06
-1.943902862D-09 5.174307710D-13 -5.910111850D+04-8.457827543D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14416.098
-2.592716099D+04-5.263785850D+00 7.004475240D+00-1.970397814D-06 4.679671200D-10
-5.670215880D-14 2.742892387D-18 -6.045399530D+04-2.192202775D+00
SrF Gurvich,1996a pt1 p507 pt2 p394.
3 tpis96 SR 1.00F 1.00 0.00 0.00 0.00 0 106.6184032 -303552.788
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9283.112
2.725008615D+04-4.850019720D+02 6.112697200D+00-3.008469209D-03 3.368465800D-06
-1.987813072D-09 4.884161090D-13 -3.536890390D+04-6.683739180D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9283.112
8.702340490D+05-2.589818770D+03 7.200264220D+00-1.173446296D-03 1.996165066D-07
1.103842667D-11-2.343183859D-15 -2.133671699D+04-1.667390309D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9283.112
-3.448093370D+07 2.208058158D+04-5.125719860D+00 2.209099383D-03-1.551627196D-07
5.125524390D-12-6.680071600D-17 -2.048593542D+05 7.995585500D+01
SrF+ Gurvich,1996a pt1 p511 pt2 p395.
3 g 8/98 SR 1.00F 1.00E -1.00 0.00 0.00 0 106.6178546 209468.312
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9106.812
4.009624200D+04-5.944946080D+02 6.182330330D+00-2.716159750D-03 2.641369127D-06
-1.383123292D-09 3.052935853D-13 2.697149351D+04-8.313659450D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9106.812
-4.752082060D+04-2.526802345D+01 4.519295280D+00 2.556426750D-05 3.382541830D-09
-1.511394636D-13 9.537491180D-18 2.383861417D+04 1.892197325D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9106.812
-2.403608095D+03-3.242568700D+01 4.507124800D+00 3.261116540D-05 1.672393446D-09
5.130259820D-14 2.102366585D-20 2.392692006D+04 1.974517090D+00
SrF2 Gurvich,1996a pt1 p514 pt2 p397.
2 tpis96 SR 1.00F 2.00 0.00 0.00 0.00 0 125.6168064 -784793.795
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13269.601
4.170759650D+04-8.500132410D+02 1.002806064D+01-6.098485190D-03 7.056261330D-06
-4.359374310D-09 1.111308310D-12 -9.217859850D+04-2.325100053D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13269.601
-6.126265430D+04-1.964060822D+01 7.015557750D+00-6.512526780D-06 1.490473613D-09
-1.756437040D-13 8.317093850D-18 -9.656701250D+04-5.402308760D+00
SrH Gurvich,1996a pt1 p499 pt2 p388.
2 tpis96 SR 1.00H 1.00 0.00 0.00 0.00 0 88.6279400 219227.105
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8723.105
-4.317796890D+04 7.676429700D+02-1.594398638D+00 1.500711077D-02-1.826296898D-05
1.136757659D-08-2.855588359D-12 2.179685693D+04 3.324674230D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8723.105
-2.269825428D+05 1.345209458D+03 1.152194421D+00 3.109555289D-03-1.188080968D-06
2.073091147D-10-1.300839287D-14 1.735547062D+04 2.112916944D+01
SrI Gurvich,1996a pt1 p526 pt2 p405.
3 tpis96 SR 1.00I 1.00 0.00 0.00 0.00 0 214.5244700 -7851.676
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10283.124
-2.467498501D+03-2.535495809D+01 4.603298480D+00-1.613676212D-04 2.694294049D-07
-1.564795762D-10 3.826482280D-14 -2.175538291D+03 6.411481880D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10283.124
2.201136857D+06-7.082230700D+03 1.332597928D+01-5.305864420D-03 1.636071150D-06
-2.205540591D-10 1.078496824D-14 4.219077170D+04-5.530833200D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10283.124
1.557303348D+08-1.150787674D+05 3.550520760D+01-3.375329300D-03 1.695651221D-07
-4.438653930D-12 4.852777450D-17 8.917357880D+05-2.613917335D+02
SrI2 Gurvich,1996a pt1 p528 pt2 p407.
2 tpis96 SR 1.00I 2.00 0.00 0.00 0.00 0 341.4289400 -278218.842
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16701.658
-4.391849690D+03-3.757267350D+01 7.656993500D+00-3.561721300D-04 4.508689010D-07
-2.983230473D-10 8.018658660D-14 -3.553303460D+04-2.598281578D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16701.658
-8.090381920D+03-7.348263230D-01 7.500640060D+00-2.863515042D-07 6.876556970D-11
-8.398807360D-15 4.086968160D-19 -3.572106420D+04-1.693119087D+00
SrO Gurvich,1996a pt1 p495 pt2 p384.
3 tpis96 SR 1.00O 1.00 0.00 0.00 0.00 0 103.6194000 -14207.691
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9040.109
4.224891670D+04-5.913517870D+02 5.964363000D+00-2.105712736D-03 2.028373972D-06
-1.197885492D-09 3.466289920D-13 1.018053721D+02-7.511427470D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9040.109
-5.172933050D+07 1.510821000D+05-1.614513515D+02 8.516051790D-02-2.091669402D-05
2.452307103D-09-1.108841292D-13 -9.687829520D+05 1.197846971D+03
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9040.109
1.988729112D+08-9.438733680D+04 2.862378041D+01-2.923338947D-03 1.808436182D-07
-5.719087480D-12 7.320935570D-17 7.583246290D+05-2.033702568D+02
SrO+ Gurvich,1996a pt1 p497 pt2 p386. Partridge,1986.
3 g 8/98 SR 1.00O 1.00E -1.00 0.00 0.00 0 103.6188514 630053.722
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10104.122
4.618674160D+04-4.604560920D+02 5.605360720D+00-1.511707524D-03 1.328692506D-06
-6.244610540D-10 1.274632229D-13 7.694140460D+04-3.377441410D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10104.122
1.035147885D+06-3.339081120D+03 8.520055290D+00-2.340803237D-03 7.338594440D-07
-1.031868417D-10 5.087079240D-15 9.540749060D+04-2.491223445D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10104.122
-6.910421610D+07 1.253686165D+04 9.522159370D+00-1.279343636D-03 8.998760920D-08
-2.931863956D-12 3.752244570D-17 -5.778506890D+04-3.231958760D+01
SrOH Gurvich,1996a pt1 p502 pt2 p390.
2 tpis96 SR 1.00O 1.00H 1.00 0.00 0.00 0 104.6273400 -194085.726
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11046.666
4.640006560D+04-9.938685540D+02 9.784948960D+00-5.774377620D-03 5.126164110D-06
-1.833418356D-09 1.926013410D-13 -2.022721196D+04-2.740670981D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11046.666
2.545648379D+06-7.416195980D+03 1.381956204D+01-3.096481934D-03 7.723894210D-07
-7.921280320D-11 2.740829111D-15 2.231302058D+04-6.148781130D+01
SrOH+ Gurvich,1996a pt1 p503 pt2 p391.
2 tpis96 SR 1.00O 1.00H 1.00E -1.00 0.00 0 104.6267914 310169.605
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11104.569
3.857366940D+04-9.030242330D+02 9.451103250D+00-5.042516280D-03 4.190101890D-06
-1.196920603D-09 1.606318743D-14 3.995067720D+04-2.601486110D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11104.569
8.679695660D+05-2.340609538D+03 7.976829750D+00 1.023752569D-04-6.286032330D-08
1.024851502D-11-5.723683920D-16 5.073157720D+04-2.027046917D+01
Sr(OH)2 Gurvich,1996a pt1 p506 pt2 p393.
2 tpis96 SR 1.00O 2.00H 2.00 0.00 0.00 0 121.6346800 -596694.573
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17011.921
7.205090300D+04-1.789465226D+03 1.729429139D+01-1.169280781D-02 1.106702894D-05
-4.490146090D-09 6.603997460D-13 -6.605394040D+04-6.388681220D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17011.921
1.750013518D+06-4.681601500D+03 1.395548402D+01 2.035019560D-04-1.253496115D-07
2.044549432D-11-1.142004855D-15 -4.427170240D+04-5.051456850D+01
SrS Gurvich,1996a pt1 p529 pt2 p409.
2 tpis96 SR 1.00S 1.00 0.00 0.00 0.00 0 119.6850000 104351.315
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9536.115
1.256440807D+04-3.150436559D+02 5.721722510D+00-2.630479718D-03 3.384699750D-06
-2.296256846D-09 6.512086680D-13 1.277295160D+04-3.693874943D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9536.115
-1.379432947D+07 3.921331580D+04-3.602866380D+01 1.818513386D-02-3.275858160D-06
2.324312746D-10-3.614555700D-15 -2.410246179D+05 2.991679642D+02
Sr2 Gurvich,1996a pt1 p491 pt2 p382.
2 tpis96 SR 2.00 0.00 0.00 0.00 0.00 0 175.2400000 307570.337
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11365.137
-1.108859753D+05 5.927604010D+02 8.439688550D+00-2.652801112D-02 4.435825970D-05
-3.399915490D-08 9.965546680D-12 3.157615033D+04-7.033966650D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11365.137
2.098445682D+05 1.038650130D+02 2.309332330D+00 1.330517507D-04-4.426433390D-08
6.711419150D-12-3.374128000D-16 3.636642690D+04 2.168088517D+01
Ta Hf:Gurvich,1982 p85. Moore,1971. Gordon,1999.
3 g 7/97 TA 1.00 0.00 0.00 0.00 0.00 0 180.9479000 782518.638
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6199.638
-1.150907339D+04 4.780730430D+01 3.185588390D+00-5.366528160D-03 1.288379705D-05
-1.045798666D-08 3.050617695D-12 9.299797630D+04 5.336056610D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6199.638
1.689726898D+06-5.986854660D+03 9.565039670D+00-2.511649459D-03 6.443031170D-07
-7.189237250D-11 3.113352070D-15 1.306710983D+05-4.335096270D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6199.638
-8.413419560D+08 6.381509040D+05-1.856031850D+02 2.797353600D-02-2.073321805D-06
7.397299170D-11-1.017863944D-15 -4.836410620D+06 1.607007750D+03
Ta+ Moore,1971. Gordon,1999.
3 g 7/97 TA 1.00E -1.00 0.00 0.00 0.00 0 180.9473514 1549679.335
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6337.835
2.869712865D+05-3.084920994D+03 1.430679704D+01-1.984772164D-02 1.951445133D-05
-8.970946030D-09 1.501974665D-12 2.013828712D+05-6.306427830D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6337.835
3.656142130D+06-1.254073524D+04 1.865022579D+01-7.943274660D-03 2.151786937D-06
-2.816764844D-10 1.413722944D-14 2.636876455D+05-1.065864286D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6337.835
3.724273560D+07-3.405709310D+04 1.630056321D+01-2.064987830D-03 1.616826024D-07
-5.752060330D-12 7.636581870D-17 4.405115500D+05-1.040237652D+02
Ta- Hotop,1985. Gordon,1999.
3 g 9/97 TA 1.00E 1.00 0.00 0.00 0.00 0 180.9484486 745469.429
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6416.129
1.873982301D+05-1.681268679D+03 6.480040150D+00-2.254355782D-04 2.028434876D-06
-4.679801430D-09 1.997027996D-12 9.793496020D+04-2.049618155D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6416.129
-4.235467480D+06 1.101056361D+04-4.736911070D+00 2.503562129D-03-4.821851690D-07
4.886408030D-11-2.030547835D-15 1.574699408D+04 6.491802700D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6416.129
4.149884030D+05 1.227972146D+03 2.209211582D+00 3.401090760D-05-2.136872502D-09
6.906775410D-14-9.017779200D-19 8.249065600D+04 1.195636187D+01
TaCL5 Chase,1998 p923.
2 j12/74 TA 1.00CL 5.00 0.00 0.00 0.00 0 358.2129000 -764835.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26869.100
6.306483290D+04-1.771221442D+03 2.255083356D+01-1.360238041D-02 1.613009806D-05
-1.016307761D-08 2.631917453D-12 -8.792737110D+04-8.097864282D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26869.100
-1.426444545D+05-3.894340320D+01 1.603142370D+01-1.333676355D-05 3.084307611D-09
-3.663930060D-13 1.745841795D-17 -9.701297170D+04-4.256986372D+01
TaO Gurvich,1982 pt1 p86 pt2 p89.
3 tpis89 TA 1.00O 1.00 0.00 0.00 0.00 0 196.9473000 242534.705
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8766.105
-1.395738049D+04 3.945236990D+02-6.301696410D-02 1.308595441D-02-1.862339730D-05
1.366155583D-08-3.924551230D-12 2.645195419D+04 2.741671469D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8766.105
6.106591120D+06-1.984135246D+04 2.815797433D+01-1.330045882D-02 3.876807490D-06
-5.068872770D-10 2.443666035D-14 1.525814433D+05-1.658307106D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8766.105
-1.076924766D+08 1.287348862D+04 1.361132509D+01-1.443306356D-03 9.697469230D-08
-3.170023830D-12 4.113579900D-17 -1.302536682D+05-6.687940680D+01
TaO2 Gurvich,1982 pt1 p89 pt2 p91.
2 tpis82 TA 1.00O 2.00 0.00 0.00 0.00 0 212.9467000 -173662.006
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10699.099
1.516356303D+04 7.058414760D+01 6.918516990D-01 2.020605733D-02-2.928317413D-05
2.081417374D-08-5.751106690D-12 -2.212199468D+04 2.484662500D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10699.099
1.297565964D+06-4.149217430D+03 1.041680373D+01-1.045478838D-03 2.754904271D-07
-3.297043130D-11 1.356249074D-15 3.418985670D+03-3.392642790D+01
Ti Hf:Cox,1989. Sugar,1985. Gordon,1999.
3 g 7/97 TI 1.00 0.00 0.00 0.00 0.00 0 47.8670000 473000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7539.141
-4.570179400D+04 6.608092020D+02 4.295257490D-01 3.615029910D-03-3.549792810D-06
1.759952494D-09-3.052720871D-13 5.270947930D+04 2.026149738D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7539.141
-1.704786714D+05 1.073852803D+03 1.181955014D+00 2.245246352D-04 3.091697848D-07
-5.740027280D-11 2.927371014D-15 4.978069910D+04 1.740431368D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7539.141
1.152797766D+09-7.222408380D+05 1.777167465D+02-2.008059096D-02 1.221052354D-06
-3.811452080D-11 4.798092423D-16 5.772614540D+06-1.518080466D+03
Ti+ Sugar,1985. Gordon,1999.
3 g 7/97 TI 1.00E -1.00 0.00 0.00 0.00 0 47.8664514 1137624.029
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7899.829
1.707457044D+05-1.727524602D+03 9.615885330D+00-1.089655060D-02 8.201809650D-06
-2.871464413D-09 3.420382976D-13 1.447897558D+05-3.463143660D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7899.829
-7.685463080D+05 2.545868100D+03 3.423862780D-01 7.099901360D-04 2.706231875D-08
-2.371660100D-11 1.895443077D-15 1.198821489D+05 2.484799150D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7899.829
3.918035620D+07-2.534581605D+04 9.586759720D+00-7.584155410D-04 4.432999350D-08
-8.442571760D-13-4.517128089D-19 3.344440620D+05-5.220026270D+01
Ti- Hotop,1985. Gordon,1999.
3 g 9/97 TI 1.00E 1.00 0.00 0.00 0.00 0 47.8675486 459203.814
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7562.614
-3.006484990D+03 2.040911689D+02 1.822638976D+00 1.245254812D-03-1.309239865D-06
7.372143220D-10-1.724319779D-13 5.346772050D+04 1.205926588D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7562.614
2.341117640D+04 2.580413872D+00 2.497754577D+00 9.769072040D-07-2.280024955D-10
2.717202291D-14-1.295670294D-18 5.454662180D+04 7.999823950D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7562.614
1.417514172D+04 5.638799640D+00 2.498751709D+00 1.426579908D-07-8.889194940D-12
2.867172222D-16-3.746329300D-21 5.451843520D+04 7.994109450D+00
TiCL Chase,1998 p808.
2 j12/68 TI 1.00CL 1.00 0.00 0.00 0.00 0 83.3200000 150850.926
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9680.626
-1.714177839D+04 3.103259047D+02 8.920935980D-01 1.383436793D-02-1.885370354D-05
1.212085912D-08-3.032162427D-12 1.558066453D+04 2.244778384D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9680.626
-9.633225420D+05 2.868829781D+03 1.973820676D+00 1.752668011D-03-4.255434360D-07
5.049103400D-11-2.304720715D-15 -1.811011561D+03 2.319450287D+01
TiCL2 Chase,1998 p866.
2 j12/68 TI 1.00CL 2.00 0.00 0.00 0.00 0 118.7730000 -237230.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13545.270
1.324354656D+04-5.762829320D+02 9.640047290D+00-4.475120950D-03 5.398794870D-06
-3.525800490D-09 9.746004550D-13 -2.792066683D+04-2.218347625D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13545.270
-3.190012950D+06 1.015763826D+04-4.840794770D+00 6.822006340D-03-1.700753270D-06
2.118106588D-10-1.041245457D-14 -9.480982980D+04 7.823195948D+01
TiCL3 Chase,1998 p887.
2 j12/68 TI 1.00CL 3.00 0.00 0.00 0.00 0 154.2260000 -539320.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15374.947
1.243282268D+05-2.320728253D+03 1.779895274D+01-1.160889348D-02 1.006643154D-05
-4.811940690D-09 1.006186828D-12 -5.609602510D+04-6.732754065D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15374.947
-9.408792310D+04-1.255351109D+02 1.066923972D+01-2.637456897D-04 7.959169350D-08
-1.176740054D-11 6.416223480D-16 -6.769114680D+04-2.369164216D+01
TiCL4 Chase,1998 p906.
2 j12/67 TI 1.00CL 4.00 0.00 0.00 0.00 0 189.6790000 -763160.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21613.541
8.187196800D+04-1.758323850D+03 1.892512121D+01-1.133495876D-02 1.251952037D-05
-7.422681330D-09 1.825440187D-12 -8.672923110D+04-6.769594291D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21613.541
-1.432562278D+05-4.316774850D+01 1.303337752D+01-1.371365738D-05 3.093403483D-09
-3.604245160D-13 1.691384523D-17 -9.588947000D+04-3.247541011D+01
TiO Gurvich,1982 pt1 p99 pt2 p101.
3 tpis89 TI 1.00O 1.00 0.00 0.00 0.00 0 63.8664000 49503.615
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9593.115
-1.168152460D+04 4.542565650D+02-1.139144613D-01 1.275432333D-02-1.727656935D-05
1.187369403D-08-3.236579370D-12 2.924306353D+03 2.702903947D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9593.115
2.330644030D+06-7.415793860D+03 1.281799311D+01-4.344555950D-03 1.186303111D-06
-1.367644275D-10 5.703212250D-15 5.144841360D+04-5.793994240D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9593.115
1.660288147D+08-1.051853502D+05 2.749141313D+01-1.681501753D-03 4.884078370D-08
-4.721389750D-13-2.405919722D-18 8.399156070D+05-2.030813444D+02
TiO+ Gurvich,1982 pt1 p104 pt2 p103.
3 tpis82 TI 1.00O 1.00E -1.00 0.00 0.00 0 63.8658514 685321.011
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9213.111
3.691256250D+04-1.492825538D+02 2.624977257D+00 5.818627130D-03-7.529662110D-06
4.744154350D-09-1.186916989D-12 8.241551170D+04 1.095428726D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9213.111
3.421329530D+05-2.161851060D+03 8.025175660D+00-2.708700692D-03 1.004583805D-06
-1.505766850D-10 8.045658110D-15 9.362646990D+04-2.261587887D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9213.111
6.877707550D+07-4.060032000D+04 1.371193858D+01-6.905832140D-04 2.394468882D-08
-4.056406410D-13 2.475735466D-18 4.034409840D+05-8.020740780D+01
TiOCL Chase,1998 p796.
2 j 9/63 TI 1.00O 1.00CL 1.00 0.00 0.00 0 99.3194000 -244262.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12142.701
3.545856510D+04-6.295287140D+02 7.370176300D+00 3.302019140D-03-6.121458750D-06
4.735880250D-09-1.374690357D-12 -2.797087903D+04-1.294470159D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12142.701
-1.273059873D+05-1.111118850D+02 7.582888080D+00-3.312871800D-05 7.314014090D-09
-8.378822260D-13 3.879275060D-17 -3.139356857D+04-1.247104274D+01
TiOCL2 Chase,1998 p843.
2 j 9/63 TI 1.00O 1.00CL 2.00 0.00 0.00 0 134.7724000 -545552.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16710.010
3.289052460D+04-7.389188590D+02 1.055976857D+01 1.577742341D-03-3.907182100D-06
3.290576530D-09-9.949471750D-13 -6.448410700D+04-2.417469934D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16710.010
-1.322951633D+05-9.691212050D+01 1.007240769D+01-2.897248531D-05 6.401775040D-09
-7.338452600D-13 3.399282670D-17 -6.847409640D+04-1.975043469D+01
TiO2 Chase,1998 p1762 12/73. Jacox,1998.
2 g10/99 TI 1.00O 2.00 0.00 0.00 0.00 0 79.8658000 -305430.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11351.690
-1.710545601D+03 2.721435528D+02 5.961378960D-01 1.925463599D-02-2.665500165D-05
1.811109197D-08-4.876710470D-12 -3.912241770D+04 2.408605889D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11351.690
1.546299764D+05-1.046256880D+03 7.788985830D+00-1.546805714D-04-7.059935950D-08
3.100244802D-11-2.494725430D-15 -3.266336750D+04-1.591534660D+01
U Gurvich,1982 pt1 p184 pt2 p201. Blaise,1976.
3 g 7/00 U 1.00 0.00 0.00 0.00 0.00 0 238.0289100 535000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6499.294
6.965737750D+04-1.070351517D+03 8.075842310D+00-1.060034069D-02 9.256548010D-06
-3.219899760D-09 4.058048809D-13 6.866513700D+04-2.240521678D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6499.294
-4.092498960D+06 1.274888349D+04-1.218707506D+01 7.258105680D-03-7.787775070D-07
-3.844353850D-11 7.066508567D-15 -1.699372664D+04 1.155026301D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6499.294
-2.424676814D+08 1.022495503D+05-2.321762289D+00-7.433177460D-04 9.674993970D-08
-4.159452280D-12 6.313829223D-17 -8.137559280D+05 7.333489176D+01
UF Gurvich,1982 pt1 p202 pt2 p224.
3 tpis82 U 1.00F 1.00 0.00 0.00 0.00 0 257.0273132 -49250.737
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9387.063
1.725533463D+05-1.698985561D+03 5.902926430D+00 1.841977309D-02-4.633174310D-05
4.376657200D-08-1.451876566D-11 2.086455917D+03-1.186592944D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9387.063
-5.325439370D+06 1.533967086D+04-1.175044398D+01 9.647210930D-03-2.498778190D-06
3.155572896D-10-1.544694839D-14 -1.057196525D+05 1.220828149D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9387.063
2.021978468D+08-1.196840152D+05 3.263355240D+01-2.553105588D-03 1.191730174D-07
-2.677714445D-12 2.360089903D-17 9.473656850D+05-2.396788565D+02
UF+ Gurvich,1982 pt1 p203 pt2 p226.
3 tpis82 U 1.00F 1.00E -1.00 0.00 0.00 0 257.0267646 557058.967
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9499.367
1.622640597D+06-1.917326611D+04 8.759461220D+01-1.699915707D-01 1.861251683D-04
-1.036176702D-07 2.324287412D-11 1.616709643D+05-4.806891249D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9499.367
5.395091840D+05-2.923962095D+03 1.008511948D+01-2.425945123D-03 5.928725480D-07
-6.795845540D-11 3.152666445D-15 8.267291220D+04-3.307089704D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9499.367
5.357726300D+07-1.105107069D+04 1.891324705D+00 1.246403421D-03-1.128508026D-07
4.314527550D-12-6.027569830D-17 1.776673362D+05 2.409952635D+01
UF- Gurvich,1982 pt1 p204 pt2 p228.
3 g12/99 U 1.00F 1.00E 1.00 0.00 0.00 0 257.0278618 -155679.193
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9156.007
3.692327860D+03-1.491979606D+02 4.033988520D+00 2.857429445D-03-5.171702560D-06
3.985379110D-09-9.470355440D-13 -1.915281695D+04 6.059243838D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9156.007
-4.311143560D+06 1.974817938D+04-2.760304763D+01 2.276806261D-02-6.888741720D-06
9.483511060D-10-4.910688100D-14 -1.380801290D+05 2.240758537D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9156.007
-3.090384299D+08 1.824173856D+05-3.570033800D+01 4.596835280D-03-2.809511961D-07
9.028550240D-12-1.169274383D-16 -1.475954920D+06 3.592431751D+02
UF2 Gurvich,1982 pt1 p205 pt2 p230.
3 tpis82 U 1.00F 2.00 0.00 0.00 0.00 0 276.0257164 -535036.715
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15152.392
-3.882492020D+04 4.454930860D+02 4.718009190D+00 1.648911480D-03 8.696243010D-06
-1.207439921D-08 4.536793910D-12 -6.855329330D+04 1.159725423D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15152.392
-4.716776820D+05 3.224236860D+02 8.214090630D+00-1.407413780D-04 6.541178050D-09
1.818915497D-12-2.287963719D-16 -6.995235050D+04-9.648963156D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15152.392
3.833722170D+06-5.166288400D+03 1.000042588D+01-3.502166850D-04 1.973413760D-08
-5.613962470D-13 6.472362570D-18 -2.897767010D+04-2.492966720D+01
UF2+ Gurvich,1982 pt1 p207 pt2 p232.
3 tpis82 U 1.00F 2.00E -1.00 0.00 0.00 0 276.0251678 70445.527
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14437.127
5.439010160D+03-1.507096256D+02 6.873485190D+00 1.530973969D-03-3.316694310D-06
2.949453335D-09-8.281706540D-13 7.256014910D+03-2.205491833D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14437.127
-3.779149610D+06 1.298737504D+04-1.027930641D+01 1.048838051D-02-2.651047812D-06
3.116973593D-10-1.417216291D-14 -7.433440200D+04 1.189131079D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14437.127
-9.003702250D+07 4.886273610D+04-2.192209667D-01 6.378651730D-04-3.372669300D-08
9.777729090D-13-1.189890068D-17 -3.936562000D+05 6.595164355D+01
UF2- Gurvich,1982 pt1 p208 pt2 p234.
3 tpis82 U 1.00F 2.00E 1.00 0.00 0.00 0 276.0262650 -678233.195
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13153.339
8.060491730D+05-9.404254660D+03 4.448392770D+01-6.868558770D-02 6.777809920D-05
-3.338827680D-08 6.604851620D-12 -3.603306130D+04-2.261594249D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13153.339
1.038231855D+07-2.840113518D+04 3.498533370D+01-1.053216396D-02 1.924620470D-06
-1.698749570D-10 5.709858890D-15 1.001572794D+05-2.094039075D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13153.339
-5.046229980D+07 3.524957180D+04-8.601752150D-01 8.947422820D-04-5.540675440D-08
1.776021844D-12-2.307535574D-17 -3.584621110D+05 6.877566575D+01
UF3 Gurvich,1982 pt1 p210 pt2 p237.
3 tpis82 U 1.00F 3.00 0.00 0.00 0.00 0 295.0241196 -1060958.597
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18643.063
3.071027207D+04-6.340789470D+02 1.114030799D+01-2.937554125D-04-1.865390371D-06
2.371819470D-09-7.446754070D-13 -1.271838141D+05-2.348962529D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18643.063
-3.828876420D+06 1.296891783D+04-7.265554290D+00 1.048289752D-02-2.649840687D-06
3.115594509D-10-1.416579400D-14 -2.113615913D+05 1.054464687D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18643.063
-9.007768940D+07 4.885212250D+04 2.783068500D+00 6.376088800D-04-3.371098360D-08
9.772726250D-13-1.189242739D-17 -5.307242640D+05 5.256841035D+01
UF3+ Gurvich,1982 pt1 p211 pt2 p239.
3 tpis82 U 1.00F 3.00E -1.00 0.00 0.00 0 295.0235710 -284745.430
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18658.870
-3.984155890D+05 3.480892440D+03-2.519603507D+00 2.283749282D-02-2.168844780D-05
1.111265790D-08-2.350882012D-12 -5.550889200D+04 5.853815975D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18658.870
-1.196316388D+06 3.972785070D+03 4.535907110D+00 4.133416150D-03-1.097960689D-06
1.319641252D-10-6.101129180D-15 -6.199541740D+04 2.137623045D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18658.870
-4.490516590D+07 2.285903928D+04 7.869516510D+00 1.274792626D-04-5.228047920D-09
1.360286305D-13-1.645113815D-18 -2.269266296D+05 6.797911871D+00
UF3- Gurvich,1982 pt1 p212 pt2 p241.
3 tpis82 U 1.00F 3.00E 1.00 0.00 0.00 0 295.0246682 -1186440.771
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19358.329
-2.315187300D+05 2.534197822D+03-3.180714590D+00 2.932741422D-02-2.856912260D-05
1.345804152D-08-2.465442912D-12 -1.580387746D+05 5.973605435D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19358.329
-1.910053149D+05-5.069181310D+02 1.181482258D+01-1.711879404D-04-9.384839180D-08
2.242009537D-11-1.428195280D-15 -1.438628681D+05-2.774680411D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19358.329
-1.944714123D+07 1.429185303D+04 7.239366640D+00 2.897026663D-04-1.704156160D-08
5.276150470D-13-6.688352280D-18 -2.573053031D+05 1.122428161D+01
UF4 Gurvich,1982 pt1 p215 pt2 p244.
3 tpis82 U 1.00F 4.00 0.00 0.00 0.00 0 314.0225228 -1606157.418
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21892.582
-5.007852380D+04-9.693493550D+02 2.069596355D+01-2.564852637D-02 4.195860120D-05
-3.201013390D-08 9.422076860D-12 -1.931626334D+05-7.172362935D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21892.582
-1.230291173D+06 3.876463790D+03 7.621625910D+00 4.094525220D-03-1.088530094D-06
1.308042117D-10-6.044390870D-15 -2.214142920D+05 6.270300658D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21892.582
-4.422199930D+07 2.244095755D+04 1.096208609D+01 1.168958941D-04-4.568843620D-09
1.147904592D-13-1.368068374D-18 -3.836270440D+05-8.486934342D+00
UF4+ Gurvich,1982 pt1 p216 pt2 p246.
3 tpis82 U 1.00F 4.00E -1.00 0.00 0.00 0 314.0219742 -641539.484
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20313.316
3.848956330D+04-1.343282151D+03 1.646334809D+01-7.196079860D-03 1.147165041D-05
-8.705877980D-09 2.501076195D-12 -7.405048200D+04-5.295285535D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20313.316
-1.617630159D+06 3.765934770D+03 9.166138530D+00 2.426641067D-03-5.695320300D-07
6.021096600D-11-2.438874329D-15 -1.061910645D+05-4.162641042D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20313.316
-2.790280948D+07 1.464555692D+04 1.168522991D+01 5.249951330D-05-1.762380856D-10
-5.000071600D-14 1.088450028D-18 -2.028630553D+05-1.708462849D+01
UF4- Gurvich,1982 pt1 p217 pt2 p248.
3 tpis82 U 1.00F 4.00E 1.00 0.00 0.00 0 314.0230714 -1728334.866
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21876.775
7.203179690D+04-1.374343862D+03 1.640877729D+01-4.363066270D-03 2.460407959D-06
-1.498144731D-10-1.239417075D-13 -2.045174023D+05-5.172250795D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21876.775
-4.639200110D+06 1.626824426D+04-9.595291050D+00 1.441556535D-02-4.008173850D-06
5.140230790D-10-2.511687821D-14 -3.125140933D+05 1.274038784D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21876.775
-1.308421305D+08 8.061319300D+04-3.939161520D+00 1.853747295D-03-1.116700599D-07
3.508474880D-12-4.490622440D-17 -8.552752700D+05 1.210372085D+02
UF5 Gurvich,1982 pt1 p219 pt2 p251.
3 tpis82 U 1.00F 5.00 0.00 0.00 0.00 0 333.0209260 -1949823.884
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23602.882
1.615769193D+05-2.976611537D+03 2.537542420D+01-1.930105670D-02 2.561852107D-05
-1.747402896D-08 4.732059380D-12 -2.239089616D+05-1.024264836D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23602.882
-1.695373880D+06 3.735425350D+03 1.218748040D+01 2.418608203D-03-5.678526160D-07
6.002765610D-11-2.430740809D-15 -2.645107342D+05-1.883137475D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23602.882
-2.820007103D+07 1.475725044D+04 1.466020135D+01 5.538728810D-05-3.572588510D-10
-4.414506670D-14 1.011890437D-18 -3.622893270D+05-3.137230618D+01
UF5+ Gurvich,1982 pt1 p220 pt2 p253.
3 tpis82 U 1.00F 5.00E -1.00 0.00 0.00 0 333.0203774 -853617.242
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23612.158
1.626519713D+05-2.915370389D+03 2.436168077D+01-1.382199656D-02 1.339849041D-05
-7.078572690D-09 1.573404040D-12 -9.226404850D+04-9.830243935D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23612.158
-2.628478263D+05-1.174047323D+02 1.608988291D+01-3.665516710D-05 8.221494970D-09
-9.537160520D-13 4.460145080D-17 -1.076293931D+05-4.763374165D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23612.158
-4.772763820D+04-1.534892435D+02 1.603372733D+01-3.833472040D-06 2.377658266D-10
-7.638474870D-15 9.946126940D-20 -1.071959701D+05-4.725516365D+01
UF5- Gurvich,1982 pt1 p221 pt2 p255.
3 tpis82 U 1.00F 5.00E 1.00 0.00 0.00 0 333.0214746 -2289431.237
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25192.963
-3.142130934D+05 2.020611008D+03 7.508491820D+00 1.640034396D-02-1.562795472D-05
7.990246010D-09-1.671674534D-12 -2.907647496D+05 4.690020575D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25192.963
-1.331518187D+06 3.905516860D+03 1.058727667D+01 4.112507270D-03-1.093277930D-06
1.314215436D-10-6.075778270D-15 -3.049506955D+05-7.977511665D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25192.963
-4.492648300D+07 2.277621599D+04 1.388769935D+01 1.254140874D-04-5.100027930D-09
1.319174409D-13-1.591595740D-18 -4.696748520D+05-2.232978306D+01
UF6 Gurvich,1982 pt1 p223 pt2 p257.
3 tpis82 U 1.00F 6.00 0.00 0.00 0.00 0 352.0193292 -2148641.648
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26623.352
1.915674060D+05-3.426391610D+03 2.800395890D+01-1.326392086D-02 1.107123764D-05
-4.821754110D-09 8.325132450D-13 -2.461045194D+05-1.211612947D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26623.352
-3.409027920D+05-1.458950046D+02 1.910902533D+01-4.358451130D-05 9.617604660D-09
-1.100915551D-12 5.092645080D-17 -2.643645561D+05-6.579130396D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26623.352
-2.639780713D+05-8.680089820D+01 1.901877513D+01-2.107561344D-06 1.295346553D-10
-4.136090060D-15 5.365237680D-20 -2.646640074D+05-6.513581536D+01
UF6- Gurvich,1982 pt1 p224 pt2 p258.
3 tpis82 U 1.00F 6.00E 1.00 0.00 0.00 0 352.0198778 -2691306.150
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27730.597
1.569230858D+05-3.027279940D+03 2.701442427D+01-1.136860992D-02 8.298576160D-06
-2.582889593D-09 2.790817248D-13 -3.135307376D+05-1.128934794D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27730.597
2.699676848D+06-6.574459670D+03 2.241731997D+01 6.057799710D-04-4.517491710D-07
7.821820470D-11-4.560334720D-15 -2.855667984D+05-9.182896336D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27730.597
-7.865804610D+07 4.174825500D+04 1.201141201D+01 6.958372750D-04-4.049760430D-08
1.262006447D-12-1.620083625D-17 -6.704395130D+05 1.746878673D+00
UO Gurvich,1982 pt1 p186 pt2 p205.
3 tpis82 U 1.00O 1.00 0.00 0.00 0.00 0 254.0283100 30488.589
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9538.289
1.007249615D+06-1.287190666D+04 5.993123920D+01-1.003445164D-01 8.529345550D-05
-2.634105066D-08-5.350649790D-13 6.627442520D+04-3.226786779D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9538.289
-2.458660003D+06 3.942652160D+03 5.016030720D+00-5.450639470D-04 2.096321351D-07
-2.654652526D-11 1.361108472D-15 -2.665149645D+04 5.580598689D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9538.289
1.643829702D+08-6.893889290D+04 1.274655043D+01 3.898071910D-04-8.455141670D-08
4.053706450D-12-6.354764880D-17 5.854610850D+05-7.355640184D+01
UO+ Gurvich,1982 pt1 p189 pt2 p207.
3 tpis82 U 1.00O 1.00E -1.00 0.00 0.00 0 254.0277614 580971.927
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8824.227
1.562834007D+04-1.224921454D+02 3.324146160D+00 2.467496097D-03-6.851856740D-07
5.552073190D-11-5.893012030D-14 6.952999740D+04 9.583869879D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8824.227
-1.063714748D+05-1.793716133D+03 8.024449050D+00-1.565116442D-03 5.066033910D-07
-7.373977470D-11 4.074766430D-15 7.789085840D+04-2.115284250D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8824.227
-4.623486280D+07 4.390299020D+04-9.206507600D+00 2.335209239D-03-1.678226513D-07
5.653921370D-12-7.297202790D-17 -2.648708363D+05 1.200887991D+02
UOF Gurvich,1982 pt1 p225 pt2 p259.
2 tpis82 U 1.00O 1.00F 1.00 0.00 0.00 0 273.0267132 -542182.744
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14005.456
3.861248470D+02 5.162286900D+01 4.888962520D+00 7.265633560D-03-1.134176875D-05
8.509041750D-09-2.354655485D-12 -6.719813380D+04 8.269521875D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14005.456
-3.805936010D+06 1.295207909D+04-1.025373631D+01 1.047841671D-02-2.648894949D-06
3.114551623D-10-1.416111895D-14 -1.478976701D+05 1.184570601D+02
UOF2 Gurvich,1982 pt1 p226 pt2 p261.
2 tpis82 U 1.00O 1.00F 2.00 0.00 0.00 0 292.0251164 -1115510.264
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17816.436
-9.106618310D+04-1.014150169D+02 1.371057013D+01-1.659931694D-02 3.082352584D-05
-2.490530206D-08 7.580617640D-12 -1.374686016D+05-3.470029665D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17816.436
-1.198944060D+06 3.852173410D+03 4.639109750D+00 4.087738440D-03-1.087067018D-06
1.306398384D-10-6.036901520D-15 -1.612637583D+05 2.018237189D+01
UOF3 Gurvich,1982 pt1 p229 pt2 p264.
2 tpis82 U 1.00O 1.00F 3.00 0.00 0.00 0 311.0235196 -1510638.039
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19827.161
1.249256374D+05-2.111719498D+03 1.844931536D+01-1.041493583D-02 1.469002962D-05
-1.049770051D-08 2.922353602D-12 -1.743844024D+05-6.649285435D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19827.161
-1.658296049D+06 3.714434680D+03 9.202425540D+00 2.412862293D-03-5.666241720D-07
5.989062110D-11-2.424534810D-15 -2.105491714D+05-5.670532802D+00
UOF4 Gurvich,1982 pt1 p230 pt2 p265.
2 tpis82 U 1.00O 1.00F 4.00 0.00 0.00 0 330.0219228 -1785611.531
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22742.734
1.437164405D+05-2.496730363D+03 2.104827038D+01-4.692561330D-03 8.741718650D-07
1.517555623D-09-7.768799740D-13 -2.061284178D+05-8.246219615D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22742.734
-2.996190288D+05-1.677276501D+02 1.612494871D+01-4.984414460D-05 1.098253497D-08
-1.255803231D-12 5.804480980D-17 -2.195459260D+05-5.024484645D+01
UO2 Gurvich,1982 pt1 p193 pt2 p211.
3 tpis82 U 1.00O 2.00 0.00 0.00 0.00 0 270.0277100 -477819.903
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13460.097
-1.129650727D+05 4.270730270D+02 8.413694010D+00-9.764280000D-03 2.199903691D-05
-1.907665954D-08 6.029889910D-12 -6.251443300D+04-1.300704863D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13460.097
-1.190542635D+06 3.832186350D+03 2.153236312D+00 4.082351910D-03-1.085924847D-06
1.305134065D-10-6.031215750D-15 -8.367618010D+04 2.590742388D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13460.097
-4.415894110D+07 2.241359238D+04 5.468051300D+00 1.162219348D-04-4.527223330D-09
1.134573678D-13-1.350744532D-18 -2.459740375D+05 1.133700240D+01
UO2+ Gurvich,1982 pt1 p194 pt2 p213.
3 tpis82 U 1.00O 2.00E -1.00 0.00 0.00 0 270.0271614 51493.919
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11576.519
4.488023380D+04-6.489236420D+02 6.874243560D+00 2.281949316D-03 1.859218752D-07
-1.849509036D-09 8.149965330D-13 7.891740230D+03-1.028257233D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11576.519
-1.589957420D+06 3.657746070D+03 3.746785420D+00 2.394401448D-03-5.624101440D-07
5.939451640D-11-2.401047056D-15 -2.048558817D+04 1.464015614D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11576.519
-2.778324150D+07 1.456161876D+04 6.203516610D+00 5.043474040D-05-4.877674180D-11
-5.408292310D-14 1.141506994D-18 -1.172230791D+05 2.164589095D+00
UO2- Gurvich,1982 pt1 p195 pt2 p215.
3 tpis82 U 1.00O 2.00E 1.00 0.00 0.00 0 270.0282586 -573700.021
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13777.379
6.341971310D+04-7.196118500D+02 8.308241620D+00 9.626455450D-04-3.583733980D-06
3.473554580D-09-1.022793120D-12 -6.718169870D+04-1.606030120D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13777.379
-2.738251640D+05 3.228534420D+03-2.805114576D-01 6.607310710D-03-2.070291015D-06
2.851708013D-10-1.466578192D-14 -8.893436180D+04 4.145760316D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13777.379
-1.053612192D+08 6.331803380D+04-5.853591580D+00 1.472289928D-03-8.933245500D-08
2.824078529D-12-3.633249210D-17 -5.772299570D+05 1.092379584D+02
UO2F Gurvich,1982 pt1 p226 pt2 p260.
2 tpis82 U 1.00O 2.00F 1.00 0.00 0.00 0 289.0261132 -997934.842
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15803.758
8.321792390D+04-1.327082127D+03 1.240125390D+01-4.084151010D-03 7.331593480D-06
-5.987404880D-09 1.787869209D-12 -1.157526888D+05-3.415298625D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15803.758
-1.614277202D+06 3.712771860D+03 6.203308820D+00 2.412618055D-03-5.665888020D-07
5.988823520D-11-2.424485602D-15 -1.478357384D+05 8.736139132D+00
UO2F2 Gurvich,1982 pt1 p228 pt2 p263.
2 tpis82 U 1.00O 2.00F 2.00 0.00 0.00 0 308.0245164 -1354232.027
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19067.973
9.959874300D+04-1.530010701D+03 1.358992177D+01 5.370655800D-03-1.141444341D-05
9.301197040D-09-2.781220538D-12 -1.580310734D+05-4.196260275D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19067.973
-2.636552036D+05-2.032835065D+02 1.315092994D+01-6.006486830D-05 1.321137913D-08
-1.508668985D-12 6.966182750D-17 -1.664444818D+05-3.566258175D+01
UO3 Gurvich,1982 pt1 p197 pt2 p218.
3 tpis82 U 1.00O 3.00 0.00 0.00 0.00 0 286.0271100 -799239.411
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15144.745
6.637677040D+04-7.582646580D+02 7.112844710D+00 1.322149697D-02-2.106191042D-05
1.545856318D-08-4.378566290D-12 -9.413369350D+04-8.588030428D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15144.745
-1.097362721D+06 2.808784061D+03 5.966121470D+00 2.861871152D-03-1.052843810D-06
1.849985929D-10-1.102849619D-14 -1.173360017D+05 6.672828312D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15144.745
1.632929098D+09-9.419553920D+05 2.142384145D+02-2.094922993D-02 1.131511326D-06
-3.129107183D-11 3.504914590D-16 7.448065370D+06-1.824526663D+03
UO3- Gurvich,1982 pt1 p198 pt2 p220.
3 tpis82 U 1.00O 3.00E 1.00 0.00 0.00 0 286.0276586 -1305154.518
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15427.082
1.000143902D+05-1.448443754D+03 1.217532415D+01-2.944956748D-03 5.675228000D-06
-4.916710420D-09 1.525185713D-12 -1.519253376D+05-3.471731375D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15427.082
-1.632938634D+06 3.667495410D+03 6.240030650D+00 2.396952522D-03-5.629490230D-07
5.945413130D-11-2.403730982D-15 -1.845927385D+05 7.032059012D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15427.082
-2.781940595D+07 1.456116475D+04 8.703650860D+00 5.041649230D-05-4.751131470D-11
-5.412647410D-14 1.142098108D-18 -2.812591514D+05-5.495926098D+00
V Hf:Gurvich,1982 p59. Sugar,1985. Gordon,1999.
3 g 7/97 V 1.00 0.00 0.00 0.00 0.00 0 50.9415000 517267.064
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7907.064
-5.535376020D+04 5.593338510D+02 2.675543482D+00-6.243049630D-03 1.565902337D-05
-1.372845314D-08 4.168388810D-12 5.820664360D+04 9.524567490D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7907.064
1.200390300D+06-5.027005300D+03 1.058830594D+01-5.044326100D-03 1.488547375D-06
-1.785922508D-10 8.113013866D-15 9.170740910D+04-4.768336320D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7907.064
2.456040166D+09-1.339992028D+06 2.781039851D+02-2.638937359D-02 1.303527149D-06
-3.214680330D-11 3.099999094D-16 1.087152043D+07-2.439954380D+03
V+ Sugar,1985. Gordon,1999.
3 g 7/97 V 1.00E -1.00 0.00 0.00 0.00 0 50.9409514 1173745.411
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7897.811
7.568834460D+04-8.415273820D+02 7.559232710D+00-1.441722656D-02 2.038356397D-05
-1.289073883D-08 3.065656561D-12 1.444478191D+05-1.991067645D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7897.811
2.347072054D+06-9.021197190D+03 1.477349798D+01-6.891896880D-03 1.968884877D-06
-2.539798544D-10 1.226783122D-14 1.958351444D+05-7.855592930D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7897.811
2.516527258D+08-1.866476656D+05 5.633587110D+01-7.198536950D-03 5.074401490D-07
-1.699749225D-11 2.157800037D-16 1.585980536D+06-4.512822600D+02
V- Hotop,1985. Gordon,1999.
3 g 9/97 V 1.00E 1.00 0.00 0.00 0.00 0 50.9420486 460386.063
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7878.263
-3.799273560D+03 2.313840448D+02 1.725608190D+00 1.429275357D-03-1.506038188D-06
8.491815170D-10-1.987980413D-13 5.347402920D+04 1.261900982D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7878.263
2.600100430D+04 2.096334097D+00 2.498006548D+00 8.991278840D-07-2.139749508D-10
2.581021334D-14-1.240812796D-18 5.470007080D+04 7.977900240D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7878.263
1.601102910D+04 5.820974900D+00 2.498705489D+00 1.484212570D-07-9.272956840D-12
2.997799727D-16-3.924862230D-21 5.466692550D+04 7.974557420D+00
VCL4 Nagarajan,1963. Creighton,1966. Blankenship,1962.
2 g10/00 V 1.00CL 4.00 0.00 0.00 0.00 0 192.7535000 -527058.480
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21783.098
7.719834710D+04-1.702854040D+03 1.882697965D+01-1.130896832D-02 1.266950765D-05
-7.625019340D-09 1.907582465D-12 -5.863748540D+04-6.559171106D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21783.098
-1.717776251D+06 4.550441050D+03 8.164464800D+00 2.224875998D-03-4.094111780D-07
3.271787500D-11-8.858690800D-16 -9.690620060D+04 4.348293098D+00
VN Chase,1998 p1616.
2 j12/73 V 1.00N 1.00 0.00 0.00 0.00 0 64.9482000 523000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8799.744
-1.581737285D+04 4.868165420D+02-1.045200388D+00 1.685261043D-02-2.334616543D-05
1.588710050D-08-4.279080880D-12 5.981481400D+04 3.144995263D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8799.744
1.018619667D+06-3.932305570D+03 9.856823610D+00-3.289221710D-03 1.005181767D-06
-1.243211436D-10 5.486776560D-15 8.557318340D+04-3.552830762D+01
VO Gurvich,1982 pt1 p62 pt2 p64.
3 tpis89 V 1.00O 1.00 0.00 0.00 0.00 0 66.9409000 148582.706
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8773.106
-1.311619784D+04 3.747816970D+02 9.300834860D-02 1.244977714D-02-1.688540028D-05
1.142443381D-08-3.040589320D-12 1.523789920D+04 2.536811755D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8773.106
2.986190283D+06-1.011344974D+04 1.718161749D+01-7.876705030D-03 2.562279547D-06
-3.547400350D-10 1.770268056D-14 7.961254880D+04-8.789993010D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8773.106
1.004530292D+08-9.008780230D+04 3.186107720D+01-2.862639937D-03 1.440482244D-07
-3.802861470D-12 4.195092660D-17 7.011401290D+05-2.336810859D+02
VO2 Gurvich,1982 pt1 p64 pt2 p66.
2 tpis82 V 1.00O 2.00 0.00 0.00 0.00 0 82.9403000 -232697.655
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10622.449
-6.678585860D+03 3.911597580D+02-1.028549847D+00 2.401523419D-02-3.337378810D-05
2.283623543D-08-6.199143100D-12 -3.074609276D+04 3.277912380D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10622.449
1.210632401D+05-1.627832993D+03 9.252713100D+00-1.572703139D-03 5.231430160D-07
-6.476071140D-11 2.847226026D-15 -2.097306345D+04-2.547380687D+01
V4O10 Gurvich,1982 pt1 p69 pt2 p70.
2 g10/99 V 4.00O 10.00 0.00 0.00 0.00 0 363.7600000 -2825164.486
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 36796.033
3.385739160D+05-5.353929260D+03 2.993220131D+01 5.818836520D-02-9.696340160D-05
7.274756990D-08-2.091628357D-11 -3.189349370D+05-1.466398396D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 36796.033
-1.360273270D+06-1.341692860D+03 4.099138590D+01-3.932265530D-04 8.628494120D-08
-9.835944090D-12 4.535637290D-16 -3.484616120D+05-1.907911348D+02
W Hf:Gurvich,1982 p42. Moore,1971. Moore,1970a. Gordon,1999.
3 g 4/98 W 1.00 0.00 0.00 0.00 0.00 0 183.8400000 851243.526
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6216.526
1.595223922D+05-2.673843928D+03 2.060469727D+01-6.252315230D-02 1.105654838D-04
-8.453511610D-08 2.336187771D-11 1.139648616D+05-9.011836900D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6216.526
-8.048745960D+06 1.465700424D+04-2.508531501D-01-2.596486992D-03 1.409225475D-06
-2.233011706D-10 1.262640862D-14 -3.091130919D+03 3.955822190D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6216.526
1.421636486D+09-4.325365550D+05-8.841615070D+00 1.645538940D-02-1.908373835D-06
8.530482890D-11-1.360501851D-15 3.994798750D+06-1.266418236D+01
W+ Moore,1971. Gordon,1999.
3 g 7/97 W 1.00E -1.00 0.00 0.00 0.00 0 183.8394514 1627840.965
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6221.265
-1.969284929D+05 2.670137332D+03-1.131686913D+01 3.308183730D-02-3.629035500D-05
2.066142971D-08-4.808285562D-12 1.820950862D+05 8.552104480D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6221.265
6.387743400D+06-2.061811463D+04 2.759291576D+01-1.244535845D-02 3.271200490D-06
-4.065463720D-10 1.912595872D-14 3.245174430D+05-1.716919194D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6221.265
6.839559150D+07-8.981711810D+04 3.845720800D+01-5.465752290D-03 4.024981150D-07
-1.342970538D-11 1.667637540D-16 8.546932820D+05-2.892805521D+02
W- Hotop,1985. Gordon,1999.
3 g 1/99 W 1.00E 1.00 0.00 0.00 0.00 0 183.8405486 766391.528
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 9.142981370D+04 8.461169670D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 9.142981370D+04 8.461169670D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 9.142981370D+04 8.461169670D+00
WCL6 Chase,1998 p935.
2 j12/66 W 1.00CL 6.00 0.00 0.00 0.00 0 396.5580000 -493712.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 30790.955
3.339391670D+04-1.697366080D+03 2.560612352D+01-1.425247881D-02 1.739682668D-05
-1.120537864D-08 2.951522890D-12 -5.673059240D+04-9.741466299D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 30790.955
-1.516735473D+05-3.451379250D+01 1.902867176D+01-1.242486969D-05 2.917675103D-09
-3.505981440D-13 1.685355887D-17 -6.535779790D+04-5.894914959D+01
WO Gurvich,1982 pt1 p43 pt2 p47.
3 tpis82 W 1.00O 1.00 0.00 0.00 0.00 0 199.8394000 401735.711
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9259.111
-1.933758411D+04 4.936690840D+02-4.116148220D-01 1.307976507D-02-1.689145619D-05
1.092748066D-08-2.820593541D-12 4.511017900D+04 3.002592661D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9259.111
1.262156956D+06-4.177263120D+03 9.358286470D+00-2.887612220D-03 8.893933960D-07
-8.955318700D-11 2.504359614D-15 7.313380640D+04-3.144882290D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9259.111
1.942009403D+08-1.501316158D+05 4.237023540D+01-3.309676390D-03 1.396809578D-07
-3.039263166D-12 2.703787815D-17 1.214349290D+06-3.296819210D+02
WOCL4 Chase,1998 p900.
2 j 3/67 W 1.00O 1.00CL 4.00 0.00 0.00 0 341.6514000 -573493.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22271.379
2.658812693D+04-9.336913240D+02 1.321377385D+01 1.270930811D-02-1.964716509D-05
1.405106974D-08-3.899382140D-12 -6.792290790D+04-3.594869683D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22271.379
-3.049028285D+05-3.539425860D+02 1.626432703D+01-1.058245461D-04 2.340548846D-08
-2.685852021D-12 1.245412684D-16 -7.272546740D+04-4.991761253D+01
WO2 Gurvich,1982 pt1 p47 pt2 p50.
2 tpis82 W 1.00O 2.00 0.00 0.00 0.00 0 215.8388000 29061.744
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10714.848
3.120918919D+03 2.413883468D+02-3.024119184D-01 2.324333417D-02-3.378812680D-05
2.380934019D-08-6.421592880D-12 1.442005265D+03 2.957655179D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10714.848
-7.537406680D+05 3.204643050D+03 6.701965600D-01 4.488238870D-03-8.858328460D-07
6.245171750D-11-9.046613900D-16 -1.769420230D+04 3.405724010D+01
WO2CL2 Chase,1998 p849.
2 j 3/67 W 1.00O 2.00CL 2.00 0.00 0.00 0 286.7448000 -671532.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19503.817
4.300154480D+02-2.438547856D+02 7.976306990D+00 1.715005722D-02-2.487975176D-05
1.737644163D-08-4.771928400D-12 -8.232812400D+04-7.844771421D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19503.817
-2.404791730D+05-3.068379644D+02 1.322814502D+01-9.100220710D-05 2.006581020D-08
-2.296837607D-12 1.062829386D-16 -8.367493060D+04-3.491556626D+01
WO3 Gurvich,1982 pt1 p50 pt2 p52.
2 tpis82 W 1.00O 3.00 0.00 0.00 0.00 0 231.8382000 -319725.213
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13267.943
7.262461460D+03 3.429391090D+01 1.573061955D+00 2.754971099D-02-3.994827310D-05
2.809371537D-08-7.777545730D-12 -4.001733270D+04 1.857409963D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13267.943
1.732203640D+06-6.284719780D+03 1.681358864D+01-3.472089360D-03 8.079935800D-07
-6.589378720D-11 1.142928957D-15 -2.473075565D+03-7.407474090D+01
WO3- Gurvich,1982 pt1 p51 pt2 p53.
2 tpis82 W 1.00O 3.00E 1.00 0.00 0.00 0 231.8387486 -650475.961
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13714.639
1.630999684D+05-1.967609682D+03 1.201970914D+01 1.681260779D-03-5.859360060D-06
5.028616330D-09-1.434012198D-12 -7.009203990D+04-3.936901040D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13714.639
4.637832510D+05-1.347089334D+03 9.773637560D+00 1.071395459D-03-3.842403660D-07
5.737531900D-11-3.157605982D-15 -7.239515570D+04-2.391116343D+01
(WO3)2 Gurvich,1982 pt1 p52 pt2 p54.
2 tpis82 W 2.00O 6.00 0.00 0.00 0.00 0 463.6764000 -1210443.298
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25543.014
8.088414510D+04-9.060340790D+02 7.601575390D+00 5.241008510D-02-7.922356390D-05
5.708640180D-08-1.606775042D-11 -1.441496996D+05-1.093524051D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25543.014
-6.674072430D+05-7.032518360D+02 2.251617461D+01-2.035473339D-04 4.444320340D-08
-5.045188080D-12 2.318375739D-16 -1.502699479D+05-8.613988980D+01
(WO3)3 Gurvich,1982 pt1 p53 pt2 p55.
2 tpis82 W 3.00O 9.00 0.00 0.00 0.00 0 695.5146000 -2013291.101
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 40688.367
3.485390010D+04-1.933496319D+02 8.206544780D+00 8.599515510D-02-1.257565252D-04
8.891567220D-08-2.471213564D-11 -2.462453469D+05-5.657325260D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 40688.367
-9.450263310D+05-1.133837222D+03 3.483479230D+01-3.301361100D-04 7.226602130D-08
-8.221581630D-12 3.785050840D-16 -2.488486308D+05-1.441551053D+02
(WO3)4 Gurvich,1982 pt1 p54 pt2 p56.
2 tpis82 W 4.00O 12.00 0.00 0.00 0.00 0 927.3528000 -2817433.885
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 54538.739
1.388606167D+04 2.287518563D+02 8.662370000D+00 1.219700696D-01-1.770499494D-04
1.246790033D-07-3.456182860D-11 -3.467839600D+05-3.603937290D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 54538.739
-1.277530217D+06-1.566538532D+03 4.715363520D+01-4.563263220D-04 9.990758360D-08
-1.136816181D-11 5.234399340D-16 -3.477418470D+05-2.051588395D+02
(WO3)5 Gurvich,1982 pt1 p56 pt2 p57.
2 tpis82 W 5.00O 15.00 0.00 0.00 0.00 0 1159.1910000 -3551492.326
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 68473.453
1.497576743D+04 2.719999782D+02 1.138626896D+01 1.523302100D-01-2.211447753D-04
1.557377753D-07-4.317244680D-11 -4.371424320D+05-1.441643481D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 68473.453
-1.600667953D+06-1.958437864D+03 5.944227390D+01-5.705105630D-04 1.249090916D-07
-1.421320416D-11 6.544458260D-16 -4.384095860D+05-2.660238838D+02
Xe Ref-Elm. Moore,1971. Moore,1970a. Gordon,1999.
3 g 1/99 XE 1.00 0.00 0.00 0.00 0.00 0 131.2930000 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.453750000D+02 6.164454205D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
4.025226680D+03-1.209507521D+01 2.514153347D+00-8.248102080D-06 2.530232618D-09
-3.892333230D-13 2.360439138D-17 -6.685800730D+02 6.063710715D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
2.540397456D+08-1.105373774D+05 1.382644099D+01 1.500614606D-03-3.935359030D-07
2.765790584D-11-5.943990574D-16 9.285443830D+05-1.109834556D+02
Xe+ Moore,1971. Moore,1970a. Gordon,1999.
3 g 3/97 XE 1.00E -1.00 0.00 0.00 0.00 0 131.2924514 1176552.232
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
1.002923620D+02-1.218753648D+00 2.506016493D+00-1.547411334D-05 2.191372741D-08
-1.623684074D-11 4.929132670D-15 1.407665368D+05 7.516712465D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-1.241683887D+04-1.500654643D+02 2.964678293D+00-4.693396660D-04 1.959138719D-07
-3.037761925D-11 1.637361082D-15 1.414966808D+05 4.565685735D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-2.562275878D+08 1.570476914D+05-3.635537230D+01 5.019392580D-03-3.438107240D-07
1.140544651D-11-1.295661530D-16 -1.103556546D+06 3.436188813D+02
Zn Hf:Cox,1989. Sugar,1995. Gordon,1999.
3 g 6/97 ZN 1.00 0.00 0.00 0.00 0.00 0 65.3900000 130400.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000D+00 0.000000000D+00 2.500000000D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.493805072D+04 5.118861010D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-1.755591489D+05 4.984139240D+02 1.969386292D+00 2.608808787D-04-5.627195080D-08
2.723336049D-12 4.266685808D-16 1.173773458D+04 8.961085650D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-2.087287962D+08 1.578178131D+05-3.622033110D+01 3.345230020D-03-8.567422720D-09
-7.122544740D-12 1.691187274D-16 -1.217847671D+06 3.459439960D+02
Zn+ Sugar,1995. Gordon,1999.
3 g 6/97 ZN 1.00E -1.00 0.00 0.00 0.00 0 65.3894514 1043000.128
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
4.098344940D-04-4.343581620D-06 2.500000019D+00-4.389036810D-11 5.563969200D-14
-3.638228260D-17 9.607881995D-21 1.246979918D+05 5.811995500D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-3.436179460D+05 9.567355240D+02 1.511478952D+00 4.613467960D-04-8.786800980D-08
7.558567780D-13 1.168827311D-15 1.185321933D+05 1.300742670D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
-3.011747676D+09 2.074729347D+06-5.589526960D+02 7.501396440D-02-5.136763100D-06
1.741662147D-10-2.323920111D-15 -1.609057856D+07 4.824788010D+03
Zr Hf:Gurvich,1982. Moore,1971. Hackett,1986. Gordon,1999.
3 g 1/98 ZR 1.00 0.00 0.00 0.00 0.00 0 91.2240000 599318.611
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6815.611
6.715899960D+04-9.435981740D+02 6.359756180D+00-9.790119730D-04-7.608224150D-06
9.308717430D-09-3.124675586D-12 7.588019470D+04-1.665770522D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6815.611
6.006771840D+06-1.566960605D+04 1.796982350D+01-6.763409650D-03 1.733678968D-06
-2.064699786D-10 9.334092610D-15 1.734636249D+05-1.051117377D+02
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6815.611
5.207701380D+08-2.825652444D+05 6.077054350D+01-5.081211410D-03 2.345845819D-07
-6.237212120D-12 8.010718759D-17 2.351487351D+06-5.093183060D+02
Zr+ Moore,1971. Moore,1970a. Gordon,1999.
3 g 1/98 ZR 1.00E -1.00 0.00 0.00 0.00 0 91.2234514 1246246.292
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7471.892
1.739842193D+05-2.224598466D+03 1.400787829D+01-2.378785396D-02 2.641058912D-05
-1.442565487D-08 3.135982142D-12 1.598210714D+05-5.816728810D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7471.892
7.298137160D+05-2.017117556D+03 5.037498300D+00-5.503371950D-04 1.023753499D-07
-1.261537793D-11 7.092401042D-16 1.620884945D+05-9.820640860D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7471.892
-2.294818875D+07 1.860972745D+04-1.661509984D+00 6.020341290D-04-3.930742580D-08
1.543806931D-12-2.618341088D-17 4.907298890D+03 4.642130480D+01
Zr- Hotop,1985. Gordon,1999.
3 g 2/98 ZR 1.00E 1.00 0.00 0.00 0.00 0 91.2245486 552952.398
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7749.498
3.046662367D+04-8.074277210D+02 9.213006110D+00-1.614342054D-02 1.908653551D-05
-1.138888914D-08 2.745019116D-12 6.903034030D+04-2.862644371D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7749.498
8.471861160D+04 3.175439340D+02 2.251491246D+00 1.018645389D-04-2.285208242D-08
2.647293502D-12-1.235813604D-16 6.422337600D+04 1.081261057D+01
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7749.498
-4.386641560D+05 3.768748730D+02 2.417088403D+00 9.411538660D-06-5.824251210D-10
1.866281342D-14-2.423724320D-19 6.334701050D+04 9.677778690D+00
ZrN Chase,1998 p1620.
2 j 6/63 ZR 1.00N 1.00 0.00 0.00 0.00 0 105.2307000 713372.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8862.870
2.259109156D+04-1.802590198D+02 3.130058377D+00 5.427709280D-03-8.264614840D-06
5.958438220D-09-1.670274535D-12 8.578881490D+04 8.470724780D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8862.870
-7.255790890D+04-8.126796600D+01 4.559924400D+00 1.291161650D-05 5.203830770D-09
-5.927436670D-13 2.731548854D-17 8.468648390D+04 1.493633264D+00
ZrO Gurvich,1982 pt1 p118 pt2 p118.
3 tpis82 ZR 1.00O 1.00 0.00 0.00 0.00 0 107.2234000 83922.708
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8970.108
-5.091761400D+05 8.652770090D+03-5.294740150D+01 1.728961761D-01-2.457230895D-04
1.672135156D-07-4.423012380D-11 -3.095129818D+04 3.132576719D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8970.108
4.648098310D+05 3.442314470D+02 4.815779180D+00-4.660633140D-04 2.140489079D-07
-2.054364483D-11 4.084667760D-16 7.317340700D+03 1.502933548D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8970.108
1.343456923D+08-7.851088360D+04 1.981614195D+01-8.027211020D-04 2.522081797D-09
7.959625600D-13-1.684162816D-17 6.406670590D+05-1.358472283D+02
ZrO+ Gurvich,1982 pt1 p122 pt2 p120.
3 tpis82 ZR 1.00O 1.00E -1.00 0.00 0.00 0 107.2228514 720614.114
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9464.114
1.032911549D+04 7.304661220D+01 2.606345299D+00 5.099300290D-03-6.250338760D-06
3.797460020D-09-9.198416900D-13 8.533233780D+04 1.267311019D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9464.114
-4.937166560D+05 6.699900760D+02 4.575353470D+00-6.923237900D-04 4.280600940D-07
-7.547660220D-11 4.414279860D-15 8.018880660D+04 2.928943704D+00
6000.000 20000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9464.114
4.389941590D+07-2.084044161D+04 8.167126240D+00-5.668596640D-05-8.861355220D-09
4.773106180D-13-7.435660480D-18 2.554517908D+05-3.127152387D+01
ZrO2 Gurvich,1982 pt1 p125. Chase,1998 p1772 12/65.
2 g10/99 ZR 1.00O 2.00 0.00 0.00 0.00 0 123.2228000 -317042.737
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12008.263
3.637649000D+04-2.620658297D+02 3.692866870D+00 1.214524156D-02-1.822445342D-05
1.299215204D-08-3.615900110D-12 -3.801990880D+04 8.290857600D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12008.263
2.854363887D+06-8.738589890D+03 1.621315114D+01-4.417922830D-03 8.959096920D-07
-4.054667110D-11-2.147732083D-15 1.527510023D+04-7.481995490D+01
Ag(cr) Cubic. Ref-Elm. Cox,1989 p228.
1 coda89 AG 1.00 0.00 0.00 0.00 0.00 1 107.8682000 0.000
200.000 1235.0807 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5745.000
-7.099236470D+04 7.254788020D+02 1.066518380D-01 5.529541550D-03-4.425590850D-06
2.091668120D-09-3.888924460D-13 -4.614014260D+03 5.074216040D+00
Ag(L) Liquid. Ref-Elm. Cox,1989 p228.
1 coda89 AG 1.00 0.00 0.00 0.00 0.00 2 107.8682000 0.000
1235.080 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5745.000
0.000000000D+00 0.000000000D+00 4.017073770D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.672269970D+02-1.771527070D+01
AL(cr) Cubic. Ref-Elm. Cox,1989 p217.
1 coda89 AL 1.00 0.00 0.00 0.00 0.00 1 26.9815380 0.000
200.000 933.6107 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4540.000
-6.251811430D+04 6.343934350D+02-7.131883820D-01 1.088725280D-02-1.458741820D-05
9.961160880D-09-1.774928010D-12 -3.985439320D+03 6.561100200D+00
AL(L) Liquid. Ref-Elm. Cox,1989 p217.
1 coda89 AL 1.00 0.00 0.00 0.00 0.00 2 26.9815380 0.000
933.610 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4540.000
0.000000000D+00 0.000000000D+00 3.818625510D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.576323160D+01-1.752553420D+01
ALBr3(cr) Monoclinic. Gurvich,1996a pt1 p187 pt2 p150.
1 tpis96 AL 1.00BR 3.00 0.00 0.00 0.00 1 266.6935380 -511500.000
200.000 371.1607 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21920.000
-1.907292099D+05 0.000000000D+00 2.665662652D+01-8.326099820D-02 1.395828123D-04
0.000000000D+00 0.000000000D+00 -6.763881140D+04-1.126522667D+02
ALBr3(L) Liquid. Gurvich,1996a pt1 p187 pt2 p150.
1 tpis96 AL 1.00BR 3.00 0.00 0.00 0.00 2 266.6935380 -511500.000
371.160 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21920.000
0.000000000D+00 0.000000000D+00 1.503395871D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.481402080D+04-6.083617689D+01
ALCL3(cr) Monoclinic. Gurvich,1996a pt1 p172 pt2 p133.
1 tpis96 AL 1.00CL 3.00 0.00 0.00 0.00 1 133.3405380 -705100.000
200.000 465.7007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16980.000
-2.605551108D+05 2.535762396D+03-1.248379067D+00 2.465425813D-02-8.048550150D-06
0.000000000D+00 0.000000000D+00 -1.007777032D+05 2.030375677D+01
ALCL3(L) Liquid. Gurvich,1996a pt1 p172 pt2 p133.
1 tpis96 AL 1.00CL 3.00 0.00 0.00 0.00 2 133.3405380 -705100.000
465.700 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16980.000
0.000000000D+00 0.000000000D+00 1.509409454D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.559022460D+04-6.519014639D+01
ALF3(II) Hexagonal. Gurvich,1996a pt1 p156 pt2 p119.
2 tpis96 AL 1.00F 3.00 0.00 0.00 0.00 1 83.9767476 -1510400.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11620.400
0.000000000D+00 0.000000000D+00-2.444621150D+00 6.248607440D-02-8.043962500D-05
0.000000000D+00 0.000000000D+00 -1.829961207D+05 6.871585170D+00
298.150 728.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11620.400
0.000000000D+00 0.000000000D+00-3.158574588D+00 7.101368571D-02-1.246540085D-04
7.930377136D-08 0.000000000D+00 -1.829283321D+05 9.661469435D+00
ALF3(I) Cubic. Gurvich,1996a pt1 p156 pt2 p119.
1 tpis96 AL 1.00F 3.00 0.00 0.00 0.00 2 83.9767476 -1510400.000
728.000 2100.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11620.400
-1.060675855D+05 0.000000000D+00 1.114052422D+01 1.092668119D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.853502219D+05-5.651122021D+01
ALH3(a) Alpha,hexagonal. Gurvich,1996a pt1 p144 pt2 p108.
1 tpis96 AL 1.00H 3.00 0.00 0.00 0.00 1 30.0053580 -11400.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5440.000
5.744612990D+05-7.649579650D+03 3.481355430D+01-4.495737990D-02 2.948551342D-05
0.000000000D+00 0.000000000D+00 3.549793150D+04-2.050727589D+02
ALI3(cr) Hexagonal. Gurvich,1996a pt1 p193 pt2 p155.
1 tpis96 AL 1.00I 3.00 0.00 0.00 0.00 1 407.6949480 -302900.000
298.150 461.4707 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22300.000
-3.486280460D+03 0.000000000D+00 8.644374370D+00 1.088065032D-02 5.040262220D-07
0.000000000D+00 0.000000000D+00 -3.950736400D+04-2.968661932D+01
ALI3(L) Liquid. Gurvich,1996a pt1 p193 pt2 p155.
1 tpis96 AL 1.00I 3.00 0.00 0.00 0.00 2 407.6949480 -302900.000
461.470 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22300.000
0.000000000D+00 0.000000000D+00 1.455287203D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.913903150D+04-5.670488781D+01
ALN(cr) Hexagonal. Gurvich,1996a pt1 p202 pt2 p163.
2 tpis96 AL 1.00N 1.00 0.00 0.00 0.00 1 40.9882380 -319000.000
100.000 300.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 3870.000
3.654741530D+03 0.000000000D+00-2.148600451D+00 2.744441314D-02-2.763366825D-05
0.000000000D+00 0.000000000D+00 -3.868948290D+04 7.733969220D+00
300.000 1800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 3870.000
-1.801549340D+05 0.000000000D+00 5.525280504D+00 4.025492783D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.063616530D+04-3.018829926D+01
ALN(L) Liquid. Gurvich,1996a pt1 p202 pt2 p163.
2 tpis96 AL 1.00N 1.00 0.00 0.00 0.00 3 40.9882380 -319000.000
1800.000 2700.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 3870.000
0.000000000D+00 0.000000000D+00 4.491184688D+00 9.460569534D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.955518910D+04-2.338770283D+01
2700.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 3870.000
0.000000000D+00 0.000000000D+00 8.058201866D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.755928440D+04-4.598731266D+01
AL(OH)3(a) Gibbsite. Gurvich,1996a pt1 p150 pt2 p114.
1 tpis96 AL 1.00O 3.00H 3.00 0.00 0.00 1 78.0035580 -1293500.000
100.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12460.000
-2.376748819D+04 9.289791210D+02-1.532337335D+01 1.307578268D-01-2.205157141D-04
1.567014467D-07 0.000000000D+00 -1.605485750D+05 6.795129010D+01
AL2O3(a) Alpha,corundum. Gurvich,1996a pt1 p134 pt2 p103.
3 tpis96 AL 2.00O 3.00 0.00 0.00 0.00 1 101.9612760 -1675700.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10016.000
-5.391549970D+06 1.036676983D+05-8.173229150D+02 3.388258720D+00-7.512400360D-03
8.659248820D-06-4.066085670D-09 -6.660134650D+05 4.235502230D+03
500.000 1200.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10016.000
-6.042087868D+05 0.000000000D+00 1.475480816D+01 8.272285438D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.079235447D+05-8.136029480D+01
1200.000 2327.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10016.000
0.000000000D+00 0.000000000D+00 1.293774378D+01 1.992781294D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.060787581D+05-6.966603728D+01
AL2O3(L) Liquid. Gurvich,1996a pt1 p134 pt2 p103.
1 tpis96 AL 2.00O 3.00 0.00 0.00 0.00 3 101.9612760 -1675700.000
2327.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10016.000
0.000000000D+00 0.000000000D+00 1.959225499D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.027701571D+05-1.108590952D+02
AL2S3(a) Hexagonal alpha. Gurvich,1996a pt1 p201 pt2 p162.
2 tpis96 AL 2.00S 3.00 0.00 0.00 0.00 1 150.1580760 -648500.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18630.440
0.000000000D+00 0.000000000D+00-1.347810098D+00 8.478152110D-02-1.270516814D-04
0.000000000D+00 0.000000000D+00 -8.024014680D+04 2.103644584D+00
298.150 1273.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18630.440
-1.943109095D+05 0.000000000D+00 1.417618116D+01 2.164890054D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.297075040D+04-6.845362098D+01
AL2S3(b) Rhombohedral gamma. Gurvich,1996a pt1 p201 pt2 p162.
1 tpis96 AL 2.00S 3.00 0.00 0.00 0.00 3 150.1580760 -648500.000
1273.000 1373.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18630.440
0.000000000D+00 0.000000000D+00 1.683803375D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.445251510D+04-8.466769750D+01
AL2S3(L) Liquid. Gurvich,1996a pt1 p201 pt2 p162.
1 tpis96 AL 2.00S 3.00 0.00 0.00 0.00 4 150.1580760 -648500.000
1373.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18630.440
0.000000000D+00 0.000000000D+00 1.924346714D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.114023330D+04-9.722848599D+01
AL2SiO5(an) Andalusite. Chase,1998 p160.
3 j 9/67 AL 2.00SI 1.00O 5.00 0.00 0.00 1 162.0455760 -2592072.000
200.000 600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17093.000
-5.435020350D+05 8.364904470D+03-5.479541870D+01 2.421451459D-01-3.247828060D-04
1.619746222D-07 0.000000000D+00 -3.531115760D+05 2.892220103D+02
600.000 1500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17093.000
9.635670330D+06-6.505315100D+04 1.886717981D+02-2.227599181D-01 1.677460173D-04
-6.532301110D-08 1.041420443D-11 4.284683500D+04-1.170130476D+03
1500.000 3000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17093.000
5.600590290D+07-1.591905491D+05 2.058003747D+02-1.103017260D-01 3.860284650D-05
-6.943079960D-09 5.126291370D-13 6.964365160D+05-1.424396263D+03
AL4C3(cr) Hexagonal. Gurvich,1996a pt1 p207 pt2 p168.
2 tpis96 AL 4.00C 3.00 0.00 0.00 0.00 1 143.9582520 -206900.000
100.000 300.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16470.000
4.384127580D+03 0.000000000D+00-5.803779650D+00 1.009595640D-01-1.158851541D-04
0.000000000D+00 0.000000000D+00 -2.660263745D+04 1.884004031D+01
300.000 2500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16470.000
-4.483607573D+05 0.000000000D+00 1.788920814D+01 4.024290066D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.190056250D+04-9.494910735D+01
B(b) Beta. Ref-Elm. Chase,1998 p177-180. McBride,1993a.
2 j 6/83 B 1.00 0.00 0.00 0.00 0.00 1 10.8110000 0.000
200.000 600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 1214.000
2.598259342D+05-4.770773050D+03 3.464124480D+01-1.287342209D-01 2.897864235D-04
-3.307265950D-07 1.500151011D-10 2.146946846D+04-1.830824723D+02
600.000 2350.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 1214.000
-8.697700220D+02-8.050405960D+02 4.079712880D+00-6.423381350D-04 4.846017800D-07
-1.252780673D-10 1.335923595D-14 3.397919930D+03-2.505906587D+01
B(L) Liquid. Ref-Elm. Chase,1998 p177-180. McBride,1993a.
1 j 6/83 B 1.00 0.00 0.00 0.00 0.00 2 10.8110000 0.000
2350.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 1214.000
0.000000000D+00 0.000000000D+00 3.818625511D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 3.360603140D+03-2.073167308D+01
BN(cr) Hexagonal. Gurvich,1996a pt1 p103 pt2 p82.
2 tpis96 B 1.00N 1.00 0.00 0.00 0.00 1 24.8177000 -251000.000
200.000 1200.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 2628.425
4.927312430D+05-6.086406850D+03 2.678226753D+01-4.529686640D-02 5.305526030D-05
-3.041114432D-08 6.795343860D-12 -2.413474891D+02-1.570534002D+02
1200.000 3240.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 2628.425
-8.394039490D+05 0.000000000D+00 6.231256640D+00-1.258688680D-05 2.018144787D-09
0.000000000D+00 0.000000000D+00 -3.427269230D+04-3.687260910D+01
BN(L) Liquid. Gurvich,1996a pt1 p103 pt2 p82.
1 tpis96 B 1.00N 1.00 0.00 0.00 0.00 2 24.8177000 -251000.000
3240.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 2628.425
0.000000000D+00 0.000000000D+00 8.058201866D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.023409980D+04-4.862382389D+01
B2O3(cr) Hexagonal. Gurvich,1996a pt1 p21 pt2 p16.
1 tpis96 B 2.00O 3.00 0.00 0.00 0.00 1 69.6202000 -1273500.000
100.000 723.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9301.499
-5.595297380D+04 1.311214190D+03-1.178535942D+01 7.702795250D-02-9.740126500D-05
4.692119720D-08 1.804813810D-12 -1.599672923D+05 5.866759160D+01
B2O3(L) Liquid. Gurvich,1996a pt1 p21 pt2 p16.
1 tpis96 B 2.00O 3.00 0.00 0.00 0.00 2 69.6202000 -1273500.000
723.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9301.499
3.774124994D+05 0.000000000D+00 1.528015481D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.562115789D+05-8.056094941D+01
B2S3(cr) Monoclinic. Gurvich,1996a pt1 p101 pt2 p80.
1 tpis96 B 2.00S 3.00 0.00 0.00 0.00 1 117.8170000 -243000.000
298.150 840.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17200.400
-9.430501617D+04 0.000000000D+00 1.190088171D+01 8.711277033D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.347775180D+04-5.890696350D+01
B2S3(L) Liquid. Gurvich,1996a pt1 p101 pt2 p80.
1 tpis96 B 2.00S 3.00 0.00 0.00 0.00 2 117.8170000 -243000.000
840.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17200.400
0.000000000D+00 0.000000000D+00 1.755966377D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.921234633D+04-8.268126136D+01
B3O3H3(cr) Chase,1998 p287.
3 j 3/65 B 3.00H 3.00O 3.00 0.00 0.00 1 83.4550200 -1262313.000
298.150 700.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-5.328545240D+05 3.767360370D+03 6.890276350D-01-4.217091030D-03 8.303566290D-05
-6.146021890D-08 0.000000000D+00 -1.757027581D+05 2.395113516D+01
700.000 1400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
5.084004120D+07-3.177180280D+05 8.113753320D+02-1.045412717D+00 7.976442970D-04
-3.265400500D-07 5.554759650D-11 1.623716865D+06-5.113032450D+03
1400.000 2000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-3.234845810D+08 1.232060747D+06-1.920881017D+03 1.628142178D+00-7.579315580D-04
1.870131216D-07-1.915685535D-11 -7.655560210D+06 1.307505171D+04
B4C(cr) Hexagonal. Gurvich,1996a pt1 p111 pt2 p89
2 tpis96 B 4.00C 1.00 0.00 0.00 0.00 1 55.2547000 -62000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5611.469
-3.582115390D+07 6.748884130D+05-5.160630080D+03 2.049973510D+01-4.453648770D-02
5.049831300D-05-2.340979136D-08 -3.040618105D+06 2.693617477D+04
500.000 2743.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5611.469
-5.772904970D+05 0.000000000D+00 1.274373364D+01 5.718209610D-05 1.287030822D-06
0.000000000D+00 0.000000000D+00 -1.320621763D+04-7.266962500D+01
B4C(L) Liquid. Chase,1998 pp556-8.
1 j 6/83 B 4.00C 1.00 0.00 0.00 0.00 2 55.2547000 -62000.000
2743.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5611.469
0.000000000D+00 0.000000000D+00 1.635454164D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.250553215D+03-9.163227046D+01
Ba(cr) Crystal. Ref-Elm. Alcock,1993.
2 srd 93 BA 1.00 0.00 0.00 0.00 0.00 1 137.3270000 0.000
80.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6906.992
-1.121413048D+03 0.000000000D+00 2.794031158D+00 3.089779193D-03-8.812305235D-06
1.741533776D-08 0.000000000D+00 -9.306838000D+02-9.109787138D+00
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6906.992
0.000000000D+00 0.000000000D+00 2.773344430D+00 2.037522355D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.174338100D+02-8.909706262D+00
Ba(L) Liquid. Ref-Elm. Alcock,1993.
1 srd 93 BA 1.00 0.00 0.00 0.00 0.00 2 137.3270000 0.000
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6906.992
0.000000000D+00 0.000000000D+00 4.810866786D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.920623810D+02-2.000275711D+01
BaBr2(cr) Rhombic. Gurvich,1996a pt1 p578 pt2 p438.
1 tpis96 BA 1.00BR 2.00 0.00 0.00 0.00 1 297.1350000 -752000.000
298.000 1130.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19000.460
-7.817658527D+03 0.000000000D+00 8.433088661D+00 2.644894287D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.310239840D+04-3.084013513D+01
BaBr2(L) Liquid. Gurvich,1996a pt1 p578 pt2 p438.
1 tpis96 BA 1.00BR 2.00 0.00 0.00 0.00 2 297.1350000 -752000.000
1130.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19000.460
0.000000000D+00 0.000000000D+00 1.262852531D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.227494300D+04-5.391493900D+01
BaCO3(a) CrIII,rhombic. Gurvich,1996a pt1 p588 pt2 p446.
2 tpis96 BA 1.00C 1.00O 3.00 0.00 0.00 1 197.3359000 -1214000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16510.460
-2.877181104D+07 5.413510470D+05-4.125297560D+03 1.638620098D+01-3.558188760D-02
4.031953330D-05-1.867325900D-08 -2.581769925D+06 2.154826876D+04
500.000 1083.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16510.460
-4.578261377D+05 0.000000000D+00 1.897622349D+01-1.614166078D-02 1.493894409D-05
0.000000000D+00 0.000000000D+00 -1.526176829D+05-9.306389650D+01
BaCO3(b) CrII,hexagonal. Gurvich,1996a pt1 p588 pt2 p446.
1 tpis96 BA 1.00C 1.00O 3.00 0.00 0.00 3 197.3359000 -1214000.000
1083.000 1233.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16510.460
0.000000000D+00 0.000000000D+00 1.900292380D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.534042929D+05-9.996568172D+01
BaCO3(c) CrI,cubic. Gurvich,1996a pt1 p588 pt2 p446.
1 tpis96 BA 1.00C 1.00O 3.00 0.00 0.00 4 197.3359000 -1214000.000
1233.000 1828.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16510.460
0.000000000D+00 0.000000000D+00 1.924346714D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.533520950D+05-1.013948007D+02
BaCO3(L) Liquid. Gurvich,1996a pt1 p588 pt2 p446.
1 tpis96 BA 1.00C 1.00O 3.00 0.00 0.00 5 197.3359000 -1214000.000
1828.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16510.460
0.000000000D+00 0.000000000D+00 1.984482549D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.496405113D+05-1.032798247D+02
BaCL2(a) CrII,rhombic. Gurvich,1996a pt1 p574 pt2 p435.
2 tpis96 BA 1.00CL 2.00 0.00 0.00 0.00 1 208.2330000 -855200.000
100.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16700.460
-7.376444120D+04 1.806760784D+03-1.415837573D+01 1.391571933D-01-4.179089240D-04
6.207438290D-07-3.577305500D-10 -1.127273901D+05 7.349900590D+01
500.000 1198.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16700.460
7.096028509D+02 0.000000000D+00 8.343245723D+00 2.300676769D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.054434434D+05-3.333989736D+01
BaCL2(b) CrI,cubic. Gurvich,1996a pt1 p574 pt2 p435.
1 tpis96 BA 1.00CL 2.00 0.00 0.00 0.00 3 208.2330000 -855200.000
1198.000 1234.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16700.460
0.000000000D+00 0.000000000D+00 1.575558872D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.105803253D+05-8.137880037D+01
BaCL2(L) Liquid. Gurvich,1996a pt1 p574 pt2 p435.
1 tpis96 BA 1.00CL 2.00 0.00 0.00 0.00 4 208.2330000 -855200.000
1234.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16700.460
0.000000000D+00 0.000000000D+00 1.310961199D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.054088841D+05-6.099987667D+01
BaF2(a) CrIII,cubic. Gurvich,1996a pt1 p567 pt2 p431.
2 tpis96 BA 1.00F 2.00 0.00 0.00 0.00 1 175.3238064 -1206000.000
100.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14440.460
1.441693954D+05-4.606283760D+03 5.412180390D+01-2.221460987D-01 5.733095130D-04
-7.321844990D-07 3.715051400D-10 -1.283756240D+05-2.649277473D+02
500.000 1240.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14440.460
-2.180525371D+04 0.000000000D+00 7.730461567D+00 3.587703906D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.475854552D+05-3.364924914D+01
BaF2(b) CrII. Gurvich,1996a pt1 p567 pt2 p431.
1 tpis96 BA 1.00F 2.00 0.00 0.00 0.00 3 175.3238064 -1206000.000
1240.000 1480.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14440.460
0.000000000D+00 0.000000000D+00 1.515423038D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.533548254D+05-8.153942783D+01
BaF2(c) CrI. Gurvich,1996a pt1 p567 pt2 p431.
1 tpis96 BA 1.00F 2.00 0.00 0.00 0.00 4 175.3238064 -1206000.000
1480.000 1641.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14440.460
0.000000000D+00 0.000000000D+00 1.551504538D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.535821388D+05-8.396607945D+01
BaF2(L) Liquid. Gurvich,1996a pt1 p567 pt2 p431.
1 tpis96 BA 1.00F 2.00 0.00 0.00 0.00 5 175.3238064 -1206000.000
1641.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14440.460
0.000000000D+00 0.000000000D+00 1.262852531D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.467045237D+05-6.129240287D+01
BaH2(a) CrII,rhombic Gurvich,1996a pt1 p556 pt2 p424.
1 tpis96 BA 1.00H 2.00 0.00 0.00 0.00 1 139.3428800 -190000.000
298.150 871.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9100.474
0.000000000D+00 0.000000000D+00 4.530874339D+00 3.359308005D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.435180761D+04-1.923955725D+01
BaH2(b) CrI,rhombic Gurvich,1996a pt1 p556 pt2 p424.
1 tpis96 BA 1.00H 2.00 0.00 0.00 0.00 2 139.3428800 -190000.000
871.000 1473.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9100.474
0.000000000D+00 0.000000000D+00 8.539288545D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.589536064D+04-4.267585539D+01
BaH2(L) Liquid Gurvich,1996a pt1 p556 pt2 p424.
1 tpis96 BA 1.00H 2.00 0.00 0.00 0.00 3 139.3428800 -190000.000
1473.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9100.474
0.000000000D+00 0.000000000D+00 9.020375224D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.359720958D+04-4.414413915D+01
BaI2(cr) Rhombic. Gurvich,1996a pt1 p582 pt2 p441.
2 tpis96 BA 1.00I 2.00 0.00 0.00 0.00 1 391.1359400 -606000.000
100.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19230.400
1.510332529D+04-6.224807000D+02 1.545037842D+01-3.239437030D-02 9.253598890D-05
-1.251913725D-07 6.804559110D-11 -7.305629580D+04-6.364696150D+01
500.000 984.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19230.400
-3.247335080D+02 0.000000000D+00 8.607723125D+00 2.399780624D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.555873070D+04-2.989160688D+01
BaI2(L) Liquid. Gurvich,1996a pt1 p582 pt2 p441.
1 tpis96 BA 1.00I 2.00 0.00 0.00 0.00 3 391.1359400 -606000.000
984.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19230.400
0.000000000D+00 0.000000000D+00 1.359069867D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.611264840D+04-5.863183475D+01
BaO(cr) Cubic Gurvich,1996a pt1 p547 pt2 p418.
3 tpis96 BA 1.00O 1.00 0.00 0.00 0.00 1 153.3264000 -548000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9962.459
-3.734308680D+06 7.030482670D+04-5.334141930D+02 2.143135900D+00-4.664219600D-03
5.294704440D-06-2.456512761D-09 -3.833163320D+05 2.789047565D+03
500.000 1400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9962.459
-7.551858137D+04 0.000000000D+00 6.798957485D+00-1.205482945D-03 7.325747398D-07
0.000000000D+00 0.000000000D+00 -6.814216420D+04-3.017618534D+01
1400.000 2246.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9962.459
1.380021192D+07 0.000000000D+00-1.685992319D+01 1.166250326D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.704906000D+04 1.274565988D+02
BaO(L) Liquid Gurvich,1996a pt1 p547 pt2 p418.
1 tpis96 BA 1.00O 1.00 0.00 0.00 0.00 3 153.3264000 -548000.000
2246.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9962.459
0.000000000D+00 0.000000000D+00 1.001863008D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.861430250D+04-5.267326797D+01
Ba(OH)2(b) CrII,rhombic Gurvich,1996a pt1 p558 pt2 p427.
1 tpis96 BA 1.00O 2.00H 2.00 0.00 0.00 1 171.3416800 -940600.000
100.000 519.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16148.440
5.078717800D+04-1.641996937D+03 1.964278489D+01-3.730614630D-02 1.039952734D-04
-8.659369050D-08 2.282290989D-11 -1.085585521D+05-9.701503650D+01
Ba(OH)2(a) CrI,rhombic Gurvich,1996a pt1 p558 pt2 p427.
1 tpis96 BA 1.00O 2.00H 2.00 0.00 0.00 2 171.3416800 -940600.000
519.000 681.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16148.440
0.000000000D+00 0.000000000D+00 1.491368704D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.176117467D+05-7.252241184D+01
Ba(OH)2(L) Liquid Gurvich,1996a pt1 p558 pt2 p427.
1 tpis96 BA 1.00O 2.00H 2.00 0.00 0.00 3 171.3416800 -940600.000
681.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16148.440
0.000000000D+00 0.000000000D+00 1.659749041D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.168340700D+05-8.068104197D+01
BaS(cr) Cubic. Gurvich,1996a pt1 p584 pt2 p443.
2 tpis96 BA 1.00S 1.00 0.00 0.00 0.00 1 169.3920000 -470000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10820.450
3.369786470D+05-6.138740230D+03 4.922553770D+01-1.599274620D-01 3.314481350D-04
-3.600847800D-07 1.611281388D-10 -3.028248993D+04-2.539125160D+02
500.000 2500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10820.450
-2.050631967D+04 0.000000000D+00 5.920852822D+00 8.307164223D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.839868930D+04-2.466233780D+01
BaS(L) Liquid. Gurvich,1996a pt1 p584 pt2 p443.
1 tpis96 BA 1.00S 1.00 0.00 0.00 0.00 3 169.3920000 -470000.000
2500.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10820.450
0.000000000D+00 0.000000000D+00 8.058201866D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.356075540D+04-3.627577743D+01
BaSO4(a) CrII,rhombic. Gurvich,1996a pt1 p587 pt2 p445.
2 tpis96 BA 1.00S 1.00O 4.00 0.00 0.00 1 233.3896000 -1470000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19180.440
-1.712286968D+07 3.212789860D+05-2.441820133D+03 9.713067900D+00-2.105021811D-02
2.383101570D-05-1.103328957D-08 -1.624343960D+06 1.276058048D+04
500.000 1423.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19180.440
-2.747004935D+05 0.000000000D+00 1.352094110D+01 6.200004570D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.820275447D+05-6.454315519D+01
BaSO4(b) CrI,cubic. Gurvich,1996a pt1 p587 pt2 p445.
1 tpis96 BA 1.00S 1.00O 4.00 0.00 0.00 3 233.3896000 -1470000.000
1423.000 1853.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19180.440
0.000000000D+00 0.000000000D+00 2.044618384D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.842091207D+05-1.050884025D+02
BaSO4(L) Liquid. Gurvich,1996a pt1 p587 pt2 p435.
1 tpis96 BA 1.00S 1.00O 4.00 0.00 0.00 4 233.3896000 -1470000.000
1853.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19180.440
0.000000000D+00 0.000000000D+00 2.044618384D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.793982539D+05-1.024921441D+02
Be(a) Alpha. Ref-Elm. Alcock,1993.
2 srd 93 BE 1.00 0.00 0.00 0.00 0.00 1 9.0121820 0.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 1942.068
3.532378938D+03 0.000000000D+00-1.827528020D+00 1.895481514D-02-2.121592253D-05
0.000000000D+00 0.000000000D+00 -9.832146860D+01 6.866894114D+00
298.150 1543.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 1942.068
-7.064757875D+04 0.000000000D+00 2.550360755D+00 6.848268870D-04 1.157013462D-07
0.000000000D+00 0.000000000D+00 -1.028803669D+03-1.399471510D+01
Be(b) Beta. Ref-Elm. Alcock,1993.
1 srd 93 BE 1.00 0.00 0.00 0.00 0.00 2 9.0121820 0.000
1543.000 1563.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 1942.068
0.000000000D+00 0.000000000D+00 3.608150089D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.524497790D+02-2.002895768D+01
Be(L) Liquid. Ref-Elm. Alcock,1993.
1 srd 93 BE 1.00 0.00 0.00 0.00 0.00 3 9.0121820 0.000
1563.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 1942.068
0.000000000D+00 0.000000000D+00 3.545608821D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.074755804D+02-1.895341257D+01
BeAL2O4(cr) Chase,1998 pp139-41.
3 j12/79 BE 1.00AL 2.00O 4.00 0.00 0.00 1 126.9728580 -2300782.000
200.000 600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13088.000
5.671733300D+05-8.864346630D+03 4.407635150D+01-3.612460380D-02 3.491655240D-05
-1.451255323D-08 0.000000000D+00 -2.361266575D+05-2.603504873D+02
600.000 1200.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13088.000
3.035781649D+07-2.195328809D+05 6.571002230D+02-9.751675120D-01 8.342636270D-04
-3.757959390D-07 6.972665420D-11 9.154378130D+05-4.048262870D+03
1200.000 2146.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13088.000
5.346540420D+06-2.333165977D+04 6.465121650D+01-5.623102150D-02 4.944443190D-05
-2.347465372D-08 4.584679740D-12 -1.453507980D+05-3.997587750D+02
BeAL2O4(L) Chase,1998 pp139-41.
1 j12/79 BE 1.00AL 2.00O 4.00 0.00 0.00 2 126.9728580 -2300782.000
2146.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13088.000
0.000000000D+00 0.000000000D+00 2.963602185D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.805665995D+05-1.711673740D+02
BeBr2(cr) Cr,rhombic. Gurvich,1996a pt1 p376 pt2 p301.
1 tpis96 BE 1.00BR 2.00 0.00 0.00 0.00 1 168.8201820 -358000.000
298.150 781.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14900.000
-1.296528599D+05 0.000000000D+00 9.544519160D+00 8.967455689D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.637767130D+04-4.238810553D+01
BeBr2(L) Liquid.Gurvich,1996a pt1 p376 pt2 p301.
1 tpis96 BE 1.00BR 2.00 0.00 0.00 0.00 2 168.8201820 -358000.000
781.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14900.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.571223050D+04-5.534538359D+01
BeCO3(cr) Gurvich,1996a pt1 p385 pt2 p310.
1 tpis96 BE 1.00C 1.00O 3.00 0.00 0.00 1 69.0210820 -1045000.000
298.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9200.480
-3.688732108D+05 0.000000000D+00 1.057428520D+01 4.670148932D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.302813975D+05-5.746109667D+01
BeCL2(a) Cr,rhombic. Gurvich,1996a pt1 p370 pt2 p296.
1 tpis96 BE 1.00CL 2.00 0.00 0.00 0.00 1 79.9181820 -496200.000
200.000 676.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11420.000
-9.696336540D+05 1.653841300D+04-1.120322868D+02 4.343457410D-01-8.234422230D-04
7.967601960D-07-3.089202126D-10 -1.372167152D+05 5.981191760D+02
BeCL2(b) CrI. Gurvich,1996a pt1 p370 pt2 p296.
1 tpis96 BE 1.00CL 2.00 0.00 0.00 0.00 2 79.9181820 -496200.000
676.000 688.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11420.000
0.000000000D+00 0.000000000D+00 8.056999150D+00 2.516083329D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.169505530D+04-3.701517264D+01
BeCL2(L) Liquid.Gurvich,1996a pt1 p370 pt2 p296.
1 tpis96 BE 1.00CL 2.00 0.00 0.00 0.00 3 79.9181820 -496200.000
688.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11420.000
0.000000000D+00 0.000000000D+00 1.106499361D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.212751630D+04-5.342382325D+01
BeF2(a) CrII,hexagonal.Gurvich,1996a pt1 p364 pt2 p292.
1 tpis96 BE 1.00F 2.00 0.00 0.00 0.00 1 47.0089884 -1027000.000
200.000 493.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8468.000
3.082582728D+05-5.000745390D+03 3.049066381D+01-5.416146720D-02 5.846680620D-05
0.000000000D+00 0.000000000D+00 -1.011928897D+05-1.687961461D+02
BeF2(b) CrI,hexagonal.Gurvich,1996a pt1 p364 pt2 p292.
1 tpis96 BE 1.00F 2.00 0.00 0.00 0.00 2 47.0089884 -1027000.000
493.000 823.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8468.000
0.000000000D+00 0.000000000D+00 5.652527930D+00 3.986885577D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.252903029D+05-2.679700109D+01
BeF2(L) Liquid.Gurvich,1996a pt1 p364 pt2 p292.
1 tpis96 BE 1.00F 2.00 0.00 0.00 0.00 3 47.0089884 -1027000.000
823.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8468.000
-1.882035141D+06 0.000000000D+00 1.234468417D+01-1.836548396D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.310986361D+05-6.898102574D+01
BeI2(cr) Cr,rhombic. Gurvich,1996a pt1 p379 pt2 p304.
1 tpis96 BE 1.00I 2.00 0.00 0.00 0.00 1 262.8211220 -191000.000
298.150 763.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15200.000
-1.443741122D+05 0.000000000D+00 1.007828483D+01 3.371214900D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.647594661D+04-4.378170625D+01
BeI2(L) Liquid.Gurvich,1996a pt1 p379 pt2 p304.
1 tpis96 BE 1.00I 2.00 0.00 0.00 0.00 2 262.8211220 -191000.000
763.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15200.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.551070377D+04-5.349837990D+01
BeO(a) CrII,hexagonal. Gurvich,1996a pt1 p348 pt2 p278.
2 tpis96 BE 1.00O 1.00 0.00 0.00 0.00 1 25.0115820 -609400.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 2837.000
2.047701543D+05-2.981173217D+03 1.385643338D+01-1.581697711D-02 2.353849388D-05
-1.941029834D-08 6.520569610D-12 -5.922219190D+04-8.231113660D+01
1000.000 2373.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 2837.000
1.024057237D+06 1.937465590D+03-2.170213872D+00 6.700940070D-03-1.829092628D-06
2.757893870D-10-2.712743027D-14 -8.276808970D+04 1.896607400D+01
BeO(b) CrI,tetragonal. Gurvich,1996a pt1 p348 pt2 p278.
1 tpis96 BE 1.00O 1.00 0.00 0.00 0.00 2 25.0115820 -609400.000
2373.000 2851.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 2837.000
0.000000000D+00 0.000000000D+00 6.735213500D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.674474850D+04-3.937528813D+01
BeO(L) Liquid. Gurvich,1996a pt1 p348 pt2 p278.
1 tpis96 BE 1.00O 1.00 0.00 0.00 0.00 3 25.0115820 -609400.000
2851.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 2837.000
0.000000000D+00 0.000000000D+00 1.010282025D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.600243170D+04-6.253805395D+01
Be(OH)2(b) Rhombic,beta.Gurvich,1996a pt1 p359 pt2 p289.
2 tpis96 BE 1.00O 2.00H 2.00 0.00 0.00 1 43.0268620 -905700.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8293.440
-2.821507074D+07 5.306026240D+05-4.050124700D+03 1.608285663D+01-3.491136410D-02
3.956008990D-05-1.833019806D-08 -2.495097922D+06 2.114570392D+04
500.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8293.440
-4.549275904D+05 0.000000000D+00 1.198362862D+01 2.034996650D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.141192354D+05-6.597431876D+01
BeS(cr) Cr,cubic. Gurvich,1996a pt1 p381 pt2 p306.
1 tpis96 BE 1.00S 1.00 0.00 0.00 0.00 1 41.0771820 -236000.000
298.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5500.480
-1.061156941D+05 0.000000000D+00 4.876054031D+00 1.363880734D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.025444334D+04-2.469606404D+01
BeSO4(a) CrIII,tetr. Gurvich,1996a pt1 p383 pt2 p308.
1 tpis96 BE 1.00S 1.00O 4.00 0.00 0.00 1 105.0747820 -1200000.000
200.000 861.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12970.000
9.674052850D+05-1.525976877D+04 9.078019340D+01-2.151323890D-01 3.405813330D-04
-2.623119799D-07 8.137303080D-11 -7.417050650D+04-5.024380540D+02
BeSO4(b) CrII,rhombic. Gurvich,1996a pt1 p383 pt2 p308.
1 tpis96 BE 1.00S 1.00O 4.00 0.00 0.00 2 105.0747820 -1200000.000
861.000 912.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12970.000
0.000000000D+00 0.000000000D+00 1.804075045D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.508085273D+05-9.670719282D+01
BeSO4(c) CrI,cubic. Gurvich,1996a pt1 p383 pt2 p308.
1 tpis96 BE 1.00S 1.00O 4.00 0.00 0.00 3 105.0747820 -1200000.000
912.000 1400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12970.000
0.000000000D+00 0.000000000D+00 1.804075045D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.505559568D+05-9.643025148D+01
BeSO4(L) Liquid. Gurvich,1996a pt1 p383 pt2 p308.
1 tpis96 BE 1.00S 1.00O 4.00 0.00 0.00 4 105.0747820 -1200000.000
1400.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12970.000
0.000000000D+00 0.000000000D+00 1.804075045D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.498343268D+05-9.591480146D+01
Be2C(cr) Barin,1989. Barin,1973.
1 bar 89 BE 2.00C 1.00 0.00 0.00 0.00 1 30.0350640 -116984.640
298.150 2400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 4.437364559D+00 2.569424296D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.550714068D+04-2.408584259D+01
Be2C(L) Barin,1989. Barin,1973.
1 bar 89 BE 2.00C 1.00 0.00 0.00 0.00 2 30.0350640 -116984.640
2400.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 1.107076665D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.496946374D+04-6.577435374D+01
Be3N2(a) CrII,cubic. Gurvich,1996a pt1 p384 pt2 p309.
2 tpis96 BE 3.00N 2.00 0.00 0.00 0.00 1 55.0499460 -588000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7124.000
6.443341310D+05-9.239880870D+03 4.211333200D+01-4.513325350D-02 3.232975930D-05
0.000000000D+00 0.000000000D+00 -2.674920290D+04-2.511544265D+02
500.000 1673.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7124.000
-2.278465381D+05 4.432191420D+02 1.376274664D+00 3.225384830D-02-2.704770612D-05
8.116575420D-09-6.682374890D-14 -7.562743780D+04-1.197625563D+01
Be3N2(b) CrI,hexagonal. Gurvich,1996a pt1 p384 pt2 p309.
1 tpis96 BE 3.00N 2.00 0.00 0.00 0.00 2 55.0499460 -588000.000
1673.000 2473.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7124.000
0.000000000D+00 0.000000000D+00 1.743939210D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.850942150D+04-1.016302777D+02
Be3N2(L) Liquid. Gurvich,1996a pt1 p384 pt2 p309.
1 tpis96 BE 3.00N 2.00 0.00 0.00 0.00 3 55.0499460 -588000.000
2473.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7124.000
0.000000000D+00 0.000000000D+00 2.008536883D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.182303830D+04-1.169540588D+02
Br2(cr) Rhombic. Gurvich,1989 pt2 p314. Chase,1998 p471 (6/82).
1 g 8/01 BR 2.00 0.00 0.00 0.00 0.00 1 159.8080000 0.000
200.000 265.9007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24520.000
-5.550117110D+06 1.610953162D+05-1.913542203D+03 1.201711944D+01-4.170621540D-02
7.615296370D-05-5.694588430D-08 -6.565415920D+05 9.135571000D+03
Br2(L) Liq.Ref-Elm.Gurvich,1989 pt2 p314.Chase,1998 p471(6/82).
2 g 8/01 BR 2.00 0.00 0.00 0.00 0.00 2 159.8080000 0.000
265.900 332.5037 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24520.000
5.661619720D+06-6.002788720D+04 3.963572800D+01 2.194289283D+00-1.209616100D-02
2.608732123D-05-2.065978604D-08 3.167204530D+05-6.832596160D+02
332.503 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24520.000
0.000000000D+00 0.000000000D+00 9.056697268D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.699852754D+03-3.329354185D+01
C(gr) Graphite. Ref-Elm. TRC(4/83) vc,uc,tc1000-1002.
3 n 4/83 C 1.00 0.00 0.00 0.00 0.00 1 12.0107000 0.000
200.000 600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 1053.500
1.132856760D+05-1.980421677D+03 1.365384188D+01-4.636096440D-02 1.021333011D-04
-1.082893179D-07 4.472258860D-11 8.943859760D+03-7.295824740D+01
600.000 2000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 1053.500
3.356004410D+05-2.596528368D+03 6.948841910D+00-3.484836090D-03 1.844192445D-06
-5.055205960D-10 5.750639010D-14 1.398412456D+04-4.477183040D+01
2000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 1053.500
2.023105106D+05-1.138235908D+03 3.700279500D+00-1.833807727D-04 6.343683250D-08
-7.068589480D-12 3.335435980D-16 5.848134850D+03-2.350925275D+01
Ca(a) Alpha. Ref-Elm. Alcock,1993.
2 srd 93 CA 1.00 0.00 0.00 0.00 0.00 1 40.0780000 0.000
200.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5782.945
2.209214594D+04 0.000000000D+00-2.387095323D+00 4.674833430D-02-1.481690580D-04
1.686114356D-07 0.000000000D+00 -3.160902334D+02 9.998907900D+00
298.150 716.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5782.945
8.959632100D+03 0.000000000D+00 2.440591375D+00 1.722094077D-03 4.744000490D-07
0.000000000D+00 0.000000000D+00 -7.783440840D+02-9.273708050D+00
Ca(b) Beta. Ref-Elm. Alcock,1993.
1 srd 93 CA 1.00 0.00 0.00 0.00 0.00 2 40.0780000 0.000
716.000 1115.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5782.945
0.000000000D+00 0.000000000D+00 5.701117685D+00-5.810564904D-03 4.022125176D-06
0.000000000D+00 0.000000000D+00 -1.516788311D+03-2.607588230D+01
Ca(L) Liquid. Ref-Elm. Alcock,1993.
1 srd 93 CA 1.00 0.00 0.00 0.00 0.00 3 40.0780000 0.000
1115.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5782.945
0.000000000D+00 0.000000000D+00 4.570323447D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.822680100D+02-2.119893317D+01
CaBr2(cr) Rhombic Gurvich,1996a pt1 p473 pt2 p368.
1 tpis96 CA 1.00BR 2.00 0.00 0.00 0.00 1 199.8860000 -683800.000
298.150 1015.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17000.490
-2.826384237D+04 0.000000000D+00 8.872561342D+00 1.586623866D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.505243950D+04-3.554898721D+01
CaBr2(L) Liquid Gurvich,1996a pt1 p473 pt2 p368.
1 tpis96 CA 1.00BR 2.00 0.00 0.00 0.00 2 199.8860000 -683800.000
1015.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17000.490
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.390932270D+04-5.231487518D+01
CaCO3(cr) Hexagonal Gurvich,1996a pt1 p483 pt2 p376.
2 tpis96 CA 1.00C 1.00O 3.00 0.00 0.00 1 100.0869000 -1206600.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14480.499
-1.329862425D+07 2.500517168D+05-1.907177167D+03 7.616666270D+00-1.655870860D-02
1.879382277D-05-8.720713270D-09 -1.271058215D+06 9.957497560D+03
500.000 1603.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14480.499
-2.583555736D+05 0.000000000D+00 1.197256363D+01 3.263812299D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.497009803D+05-5.961133653D+01
CaCO3(L) Liquid Gurvich,1996a pt1 p483 pt2 p376.
1 tpis96 CA 1.00C 1.00O 3.00 0.00 0.00 3 100.0869000 -1206600.000
1603.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14480.499
0.000000000D+00 0.000000000D+00 1.924346714D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.526719277D+05-1.052847193D+02
CaCL2(cr) Rhombic. Gurvich,1996a pt1 p467 pt2 p365.
2 tpis96 CA 1.00CL 2.00 0.00 0.00 0.00 1 110.9840000 -795800.000
100.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15300.460
6.000206010D+03-4.466152170D+02 8.199988600D+00 2.374917562D-02-1.002337283D-04
1.782027609D-07-1.141389034D-10 -9.606057780D+04-3.912159570D+01
500.000 1048.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15300.460
-3.018818908D+04 0.000000000D+00 8.644766799D+00 1.529735366D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.845880750D+04-3.684266549D+01
CaCL2(L) Liquid. Gurvich,1996a pt1 p467 pt2 p365.
1 tpis96 CA 1.00CL 2.00 0.00 0.00 0.00 2 110.9840000 -795800.000
1048.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15300.460
2.661491778D+06 0.000000000D+00 1.078355790D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.391818610D+04-4.566953897D+01
CaF2(a) CrII,cubic.Gurvich,1996a pt1 p461 pt2 p361.
3 tpis96 CA 1.00F 2.00 0.00 0.00 0.00 1 78.0748064 -1228000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11640.000
-9.875281260D+05 1.337426670D+04-6.261903110D+01 1.617894422D-01-1.271795719D-04
0.000000000D+00 0.000000000D+00 -2.146045473D+05 3.617287210D+02
500.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11640.000
-6.961842180D+06 4.692065010D+04-1.157708151D+02 1.655025287D-01-1.108459197D-04
3.213053720D-08 0.000000000D+00 -4.101016540D+05 7.419533450D+02
1000.000 1424.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11640.000
1.438558077D+09 7.852955040D+05-1.342916213D+04 2.192783112D+01-1.383442475D-02
3.122877330D-06 0.000000000D+00 2.168972069D+06 7.823794920D+04
CaF2(b) CrI,cubic.Gurvich,1996a pt1 p461 pt2 p361.
1 tpis96 CA 1.00F 2.00 0.00 0.00 0.00 2 78.0748064 -1228000.000
1424.000 1691.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11640.000
1.535768139D+08 0.000000000D+00-1.699774473D+02 7.733123360D-02 3.585714680D-07
0.000000000D+00 0.000000000D+00 1.356828739D+05 1.185723820D+03
CaF2(L) Liquid.Gurvich,1996a pt1 p461 pt2 p361.
1 tpis96 CA 1.00F 2.00 0.00 0.00 0.00 3 78.0748064 -1228000.000
1691.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11640.000
0.000000000D+00 0.000000000D+00 1.190689530D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.479539740D+05-5.967665213D+01
CaH2(a) CrII,rhombic Gurvich,1996a pt1 p449 pt2 p354.
1 tpis96 CA 1.00H 2.00 0.00 0.00 0.00 1 42.0938800 -177000.000
298.150 1053.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6770.474
0.000000000D+00 0.000000000D+00 3.599731073D+00 4.465566822D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.255982511D+04-1.686197756D+01
CaH2(b) CrI,cubic Gurvich,1996a pt1 p449 pt2 p354.
1 tpis96 CA 1.00H 2.00 0.00 0.00 0.00 2 42.0938800 -177000.000
1053.000 1273.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6770.474
0.000000000D+00 0.000000000D+00 8.298745206D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.422633646D+04-4.409678633D+01
CaH2(L) Liquid Gurvich,1996a pt1 p449 pt2 p354.
1 tpis96 CA 1.00H 2.00 0.00 0.00 0.00 3 42.0938800 -177000.000
1273.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6770.474
0.000000000D+00 0.000000000D+00 9.020375224D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.249899474D+04-4.717727797D+01
CaI2(cr) Hexagonal Gurvich,1996a pt1 p476 pt2 p371.
2 tpis96 CA 1.00I 2.00 0.00 0.00 0.00 1 293.8869400 -536400.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17970.499
-1.811328452D+06 3.127451814D+04-2.136599007D+02 8.328705880D-01-1.721725832D-03
1.878967812D-06-8.440013400D-10 -2.101977983D+05 1.142802698D+03
500.000 1056.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17970.499
-6.638996165D+03 0.000000000D+00 8.652825001D+00 2.284560365D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.721736780D+04-3.254333551D+01
CaI2(L) Liquid Gurvich,1996a pt1 p476 pt2 p371.
1 tpis96 CA 1.00I 2.00 0.00 0.00 0.00 3 293.8869400 -536400.000
1056.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17970.499
0.000000000D+00 0.000000000D+00 1.238798197D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.485425310D+04-5.137218163D+01
CaO(cr) Cubic Gurvich,1996a pt1 p442 pt2 p348.
2 tpis96 CA 1.00O 1.00 0.00 0.00 0.00 1 56.0774000 -634920.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6750.499
-4.775526940D+06 9.037711420D+04-6.944320810D+02 2.802477174D+00-6.129403220D-03
6.982167800D-06-3.247543840D-09 -4.829411430D+05 3.619046320D+03
500.000 3172.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6750.499
-1.459376440D+05 0.000000000D+00 7.174205094D+00-1.959947129D-03 1.291116374D-06
-2.077091735D-10 0.000000000D+00 -7.891525080D+04-3.658562837D+01
CaO(L) Liquid Gurvich,1996a pt1 p442 pt2 p348.
1 tpis96 CA 1.00O 1.00 0.00 0.00 0.00 3 56.0774000 -634920.000
3172.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6750.499
0.000000000D+00 0.000000000D+00 1.010282025D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.991857230D+04-5.908720013D+01
Ca(OH)2(cr) Hexagonal Gurvich,1996a pt1 p454 pt2 p357.
2 tpis96 CA 1.00O 2.00H 2.00 0.00 0.00 1 74.0926800 -985900.000
100.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14160.490
-2.058838935D+05 6.172554490D+03-7.499750990D+01 5.012182400D-01-1.423348682D-03
1.994984415D-06-1.095038067D-09 -1.452026205D+05 3.552445040D+02
500.000 1023.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14160.490
-1.245413139D+05 0.000000000D+00 1.073593032D+01 3.982435525D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.223707243D+05-5.302395390D+01
Ca(OH)2(L) Liquid Gurvich,1996a pt1 p454 pt2 p357.
1 tpis96 CA 1.00O 2.00H 2.00 0.00 0.00 3 74.0926800 -985900.000
1023.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14160.490
0.000000000D+00 0.000000000D+00 1.840156546D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.245191822D+05-9.860760364D+01
CaS(cr) Cubic Gurvich,1996a pt1 p478 pt2 p373.
2 tpis96 CA 1.00S 1.00 0.00 0.00 0.00 1 72.1430000 -475000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9010.499
4.758681130D+06-8.840702110D+04 6.675047510D+02-2.576855161D+00 5.527281760D-03
-6.202901900D-06 2.852128154D-09 3.401344700D+05-3.494344760D+03
500.000 2800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9010.499
-1.428827435D+04 0.000000000D+00 5.567375588D+00 1.006673875D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.888163400D+04-2.530572359D+01
CaS(L) Liquid Gurvich,1996a pt1 p478 pt2 p373.
1 tpis96 CA 1.00S 1.00 0.00 0.00 0.00 3 72.1430000 -475000.000
2800.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9010.499
0.000000000D+00 0.000000000D+00 8.058201866D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.348566620D+04-3.924995523D+01
CaSO4(II) Rhombic Gurvich,1996a pt1 p481 pt2 p375.
2 tpis96 CA 1.00S 1.00O 4.00 0.00 0.00 1 136.1406000 -1434000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17200.499
-1.361977472D+07 2.584929291D+05-1.984800641D+03 7.969448170D+00-1.736805219D-02
1.974370111D-05-9.168768090D-09 -1.334631522D+06 1.035139350D+04
500.000 1473.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17200.499
-2.983940124D+05 0.000000000D+00 1.359671225D+01 5.857230312D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.777846313D+05-6.802481458D+01
CaSO4(I) Cubic Gurvich,1996a pt1 p481 pt2 p375.
1 tpis96 CA 1.00S 1.00O 4.00 0.00 0.00 3 136.1406000 -1434000.000
1473.000 1733.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17200.499
0.000000000D+00 0.000000000D+00 1.984482549D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.798298668D+05-1.045004358D+02
CaSO4(L) Liquid Gurvich,1996a pt1 p481 pt2 p375.
1 tpis96 CA 1.00S 1.00O 4.00 0.00 0.00 4 136.1406000 -1434000.000
1733.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17200.499
0.000000000D+00 0.000000000D+00 1.984482549D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.764622601D+05-1.025572120D+02
Cd(cr) Crystal. Ref-Elm. Cox,1989 p223.
1 coda89 CD 1.00 0.00 0.00 0.00 0.00 1 112.4110000 0.000
100.000 594.2587 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6247.000
1.375273221D+05-3.221590070D+03 3.121905502D+01-1.226136798D-01 2.838880568D-04
-3.286884020D-07 1.520469817D-10 1.302807037D+04-1.551324136D+02
Cd(L) Liquid. Ref-Elm. Cox,1989 p223.
1 coda89 CD 1.00 0.00 0.00 0.00 0.00 2 112.4110000 0.000
594.258 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6247.000
0.000000000D+00 0.000000000D+00 3.596122922D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.220394750D+02-1.323298164D+01
Co(a) Alpha. Ref-Elm. Chase,1998 pp943-6.
2 j 9/67 CO 1.00 0.00 0.00 0.00 0.00 1 58.9332000 0.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4771.000
-8.651834510D+05 1.462135206D+04-9.971089110D+01 3.794338600D-01-7.800106350D-04
8.553583960D-07-3.890151670D-10 -6.795963460D+04 5.306550210D+02
500.000 700.1007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4771.000
-9.877560740D+05 6.820602200D+03-1.521637485D+01 2.234541680D-02-9.019246600D-06
0.000000000D+00 0.000000000D+00 -3.852839040D+04 1.014399403D+02
Co(b) Beta.Ref-Elm.Below Lambda trans. Chase,1998 pp943-6.
2 j 9/67 CO 1.00 0.00 0.00 0.00 0.00 2 58.9332000 0.000
700.100 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4771.000
0.000000000D+00 0.000000000D+00 2.125113886D+00 2.218475342D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.197709420D+02-8.944546990D+00
800.000 1394.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4771.000
-1.576349295D+09 9.154318170D+06-2.197967504D+04 2.793356668D+01-1.980310380D-02
7.425124740D-06-1.149433030D-09 -5.182198410D+07 1.399846247D+05
Co(b) Beta. Ref-Elm.Above Lambda trans. Chase,1998 pp943-6.
2 j 9/67 CO 1.00 0.00 0.00 0.00 0.00 3 58.9332000 0.000
1394.000 1400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4771.000
0.000000000D+00 0.000000000D+00 3.070872109D+02-2.155487195D-01 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.139292950D+05-1.913104819D+03
1400.000 1768.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4771.000
1.648338062D+09-4.036220190D+06 3.722685700D+03-1.526326566D+00 2.354674115D-04
0.000000000D+00 0.000000000D+00 2.649010262D+07-2.751466647D+04
Co(L) Liquid. Ref-Elm. Chase,1998 pp943-6.
1 j 9/67 CO 1.00 0.00 0.00 0.00 0.00 4 58.9332000 0.000
1768.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4771.000
0.000000000D+00 0.000000000D+00 4.871122892D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.761381676D+02-2.448402276D+01
Cr(cr) Below lambda trans. Ref-Elm. Chase,1998 pp959-62.
1 j 6/73 CR 1.00 0.00 0.00 0.00 0.00 1 51.9961000 0.000
200.000 311.5007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4057.000
8.051084050D+05-1.339842819D+04 8.273507290D+01-2.075857041D-01 2.008764131D-04
0.000000000D+00 0.000000000D+00 6.182357950D+04-4.559971660D+02
Cr(cr) Above lambda trans. Ref-Elm. Chase,1998 pp959-62.
2 j 6/73 CR 1.00 0.00 0.00 0.00 0.00 2 51.9961000 0.000
311.500 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4057.000
-2.534425357D+05 3.119404093D+03-1.358439770D+01 4.323570220D-02-5.624102820D-05
3.652910710D-08-8.973298370D-12 -1.606559079D+04 7.858043710D+01
1000.000 2130.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4057.000
-3.005006418D+07 1.264410306D+05-2.139399408D+02 1.937684814D-01-9.423205780D-05
2.445139082D-08-2.606793685D-12 -7.582388710D+05 1.441907828D+03
Cr(L) Liquid. Ref-Elm. Chase,1998 pp959-62.
1 j 6/73 CR 1.00 0.00 0.00 0.00 0.00 3 51.9961000 0.000
2130.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4057.000
0.000000000D+00 0.000000000D+00 4.730284767D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 5.755633080D+02-2.453179007D+01
CrN(cr) Chase,1998 p966.
3 j12/73 CR 1.00N 1.00 0.00 0.00 0.00 1 66.0028000 -117152.000
200.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7705.000
0.000000000D+00 0.000000000D+00-1.314063090D+00 2.565693051D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.483864491D+04 4.372952650D+00
298.150 400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7705.000
1.223200207D+06 0.000000000D+00-2.407090178D+01 5.583146740D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.292218790D+03 1.319158541D+02
400.000 2500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7705.000
-2.661907798D+05 1.615547039D+03 1.892576742D+00 4.987173370D-03-2.514705667D-06
7.617792270D-10-9.124276740D-14 -2.496407842D+04-3.735659490D+00
Cr2N(cr) Chase,1998 p971.
3 j12/73 CR 2.00N 1.00 0.00 0.00 0.00 1 117.9989000 -125520.000
298.150 700.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
5.676714650D+06-6.561919460D+04 2.971622148D+02-6.132148300D-01 6.373067250D-04
-2.569754132D-07 0.000000000D+00 3.113488256D+05-1.716694497D+03
700.000 1500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
8.246680410D+05-1.965549089D+03 5.659967790D+00 1.366241998D-02-1.241835551D-05
6.313550760D-09-1.192405400D-12 -3.594772610D+03-3.071970867D+01
1500.000 2500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
4.325258320D+09-1.355254539D+07 1.757503878D+04-1.205560629D+01 4.623646210D-03
-9.389890050D-07 7.891119490D-11 8.506076540D+07-1.227417790D+05
Cr2O3(I') Hexagonal. Gurvich,1982 pt1 p18 pt2 p22.
1 tpis82 CR 2.00O 3.00 0.00 0.00 0.00 1 151.9904000 -1140600.000
200.000 306.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15300.000
-2.112979833D+06 0.000000000D+00 2.207431906D+02-1.164973854D+00 1.853971249D-03
0.000000000D+00 0.000000000D+00 -1.746831159D+05-9.949025210D+02
Cr2O3(I) Hexagonal. Gurvich,1982 pt1 p18 pt2 p22.
1 tpis82 CR 2.00O 3.00 0.00 0.00 0.00 2 151.9904000 -1140600.000
306.000 310.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15300.000
0.000000000D+00 0.000000000D+00 6.705915562D+03-4.303760534D+01 6.919229155D-02
0.000000000D+00 0.000000000D+00 -8.349875160D+05-2.844167579D+04
Cr2O3(I) Hexagonal. Gurvich,1982 pt1 p18 pt2 p22.
1 tpis82 CR 2.00O 3.00 0.00 0.00 0.00 3 151.9904000 -1140600.000
310.000 335.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15300.000
0.000000000D+00 0.000000000D+00 2.443570337D+02-1.399445548D+00 2.113509996D-03
0.000000000D+00 0.000000000D+00 -1.665032895D+05-1.059172219D+03
Cr2O3(I) Hexagonal. Gurvich,1982 pt1 p18 pt2 p22.
1 tpis82 CR 2.00O 3.00 0.00 0.00 0.00 4 151.9904000 -1140600.000
335.000 2705.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15300.000
-3.415474875D+05 0.000000000D+00 1.616932327D+01-1.517828471D-03 1.014852348D-06
0.000000000D+00 0.000000000D+00 -1.430478214D+05-8.374919535D+01
Cr2O3(L) Liquid. Gurvich,1982 pt1 p18 pt2 p22.
1 tpis82 CR 2.00O 3.00 0.00 0.00 0.00 5 151.9904000 -1140600.000
2705.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15300.000
0.000000000D+00 0.000000000D+00 2.044618384D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.383139935D+05-1.123603099D+02
Cs(cr) Crystal. Ref-Elm. Cox,1989 p263.
1 coda89 CS 1.00 0.00 0.00 0.00 0.00 1 132.9054500 0.000
100.000 301.5907 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7711.000
6.519841350D+04-1.756639077D+03 1.999681093D+01-6.938328820D-02 1.093682552D-04
0.000000000D+00 0.000000000D+00 6.382890840D+03-9.338251570D+01
Cs(L) Liquid. Ref-Elm. Cox,1989 p263.
2 coda89 CS 1.00 0.00 0.00 0.00 0.00 2 132.9054500 0.000
301.590 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7711.000
-4.218078030D+04-1.745861711D+01 5.702246950D+00-5.113948550D-03 3.201752440D-06
-1.767959558D-10 4.827862700D-14 -1.290810964D+03-2.031478114D+01
1000.000 2000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7711.000
-7.255372990D+05 3.001930225D+03 1.782289032D-01 2.832281079D-04 1.810515176D-07
7.718855550D-10-8.889289510D-14 -1.920877274D+04 1.635273378D+01
CsBO2(cr) Cubic. Gurvich,1982 pt1 p504 pt2 p525.
2 tpis82 CS 1.00B 1.00O 2.00 0.00 0.00 1 175.7152500 -962000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14368.000
1.241529552D+07-2.256720327D+05 1.662515290D+03-6.320716230D+00 1.337407484D-02
-1.484168930D-05 6.761667750D-09 9.049643320D+05-8.739017110D+03
500.000 1005.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14368.000
-1.344267330D+05 0.000000000D+00 1.014162565D+01 3.564309650D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.193344436D+05-4.705131010D+01
CsBO2(L) Liquid. Gurvich,1982 pt1 p504 pt2 p525.
1 tpis82 CS 1.00B 1.00O 2.00 0.00 0.00 2 175.7152500 -962000.000
1005.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14368.000
0.000000000D+00 0.000000000D+00 1.743939210D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.214875849D+05-9.061903610D+01
CsBr(cr) Cubic. Gurvich,1982 pt1 p488 pt2 p511.
2 tpis82 CS 1.00BR 1.00 0.00 0.00 0.00 1 212.8094500 -405600.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13135.000
8.214717410D+05-1.533809444D+04 1.213999610D+02-4.502622350D-01 9.722874060D-04
-1.094185412D-06 5.042592550D-10 1.851486523D+04-6.252270680D+02
500.000 910.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13135.000
0.000000000D+00 0.000000000D+00 5.882254010D+00 1.622332026D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.060809300D+04-2.041491096D+01
CsBr(L) Liquid. Gurvich,1982 pt1 p488 pt2 p511.
1 tpis82 CS 1.00BR 1.00 0.00 0.00 0.00 2 212.8094500 -405600.000
910.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13135.000
0.000000000D+00 0.000000000D+00 9.020375224D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.995364530D+04-3.720087044D+01
CsCL(a) Cubic. Gurvich,1982 pt1 p485 pt2 p508.
2 tpis82 CS 1.00CL 1.00 0.00 0.00 0.00 1 168.3584500 -442310.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12450.000
-1.703772998D+06 3.247452440D+04-2.455466631D+02 1.009178034D+00-2.207551915D-03
2.517334138D-06-1.172381667D-09 -2.005014179D+05 1.287839193D+03
500.000 743.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12450.000
-3.937950690D+04 0.000000000D+00 6.626999920D+00 4.235262420D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.532407590D+04-2.593783387D+01
CsCL(b) Cubic. Gurvich,1982 pt1 p485 pt2 p508.
1 tpis82 CS 1.00CL 1.00 0.00 0.00 0.00 2 168.3584500 -442310.000
743.000 919.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12450.000
0.000000000D+00 0.000000000D+00 7.841712861D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.570430740D+04-3.314329722D+01
CsCL(L) Liquid. Gurvich,1982 pt1 p485 pt2 p508.
1 tpis82 CS 1.00CL 1.00 0.00 0.00 0.00 3 168.3584500 -442310.000
919.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12450.000
0.000000000D+00 0.000000000D+00 8.839967719D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.417056700D+04-3.728749769D+01
CsF(cr) Cubic. Gurvich,1982 pt1 p481 pt2 p505.
2 tpis82 CS 1.00F 1.00 0.00 0.00 0.00 1 151.9038532 -557100.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11760.000
-2.453746682D+06 4.440981600D+04-3.216355300D+02 1.258524529D+00-2.661147803D-03
2.959315715D-06-1.350383298D-09 -2.700040022D+05 1.698453355D+03
500.000 976.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11760.000
0.000000000D+00 0.000000000D+00 5.088206230D+00 3.543462080D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.867788740D+04-1.886662026D+01
CsF(L) Liquid. Gurvich,1982 pt1 p481 pt2 p505.
1 tpis82 CS 1.00F 1.00 0.00 0.00 0.00 2 151.9038532 -557100.000
976.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11760.000
0.000000000D+00 0.000000000D+00 8.659560215D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.786592520D+04-3.731740982D+01
CsH(cr) Cubic. Gurvich,1982 pt1 p476 pt2 p500.
1 tpis82 CS 1.00H 1.00 0.00 0.00 0.00 1 133.9133900 -54040.000
298.150 801.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10500.000
-5.041788392D+04 0.000000000D+00 4.142517118D+00 4.385946977D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.098615840D+03-1.641381626D+01
CsH(L) Liquid. Gurvich,1982 pt1 p476 pt2 p500.
1 tpis82 CS 1.00H 1.00 0.00 0.00 0.00 2 133.9133900 -54040.000
801.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10500.000
0.000000000D+00 0.000000000D+00 6.735213500D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.901332940D+03-2.794351109D+01
CsI(cr) Cubic. Gurvich,1982 pt1 p492 pt2 p514.
2 tpis82 CS 1.00I 1.00 0.00 0.00 0.00 1 259.8099200 -348100.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13470.000
1.754014150D+06-3.232916500D+04 2.467159187D+02-9.287377130D-01 1.973235969D-03
-2.193580686D-06 1.003390730D-09 1.023639971D+05-1.282961001D+03
500.000 905.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13470.000
-1.690343843D+04 0.000000000D+00 7.346625000D+00-4.804073480D-03 6.604565720D-06
0.000000000D+00 0.000000000D+00 -4.395851780D+04-2.611726446D+01
CsI(L) Liquid. Gurvich,1982 pt1 p492 pt2 p514.
1 tpis82 CS 1.00I 1.00 0.00 0.00 0.00 2 259.8099200 -348100.000
905.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13470.000
0.000000000D+00 0.000000000D+00 8.539288545D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.226975350D+04-3.246075054D+01
CsNO2(I) Cubic. Gurvich,1982 pt1 p498 pt2 p519.
1 tpis82 CS 1.00N 1.00O 2.00 0.00 0.00 1 178.9109500 -379900.000
298.150 679.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23420.000
0.000000000D+00 0.000000000D+00 1.151300558D+01-3.537430348D-03 5.931437932D-06
0.000000000D+00 0.000000000D+00 -4.901898420D+04-4.387814029D+01
CsNO2(L) Liquid. Gurvich,1982 pt1 p498 pt2 p519.
1 tpis82 CS 1.00N 1.00O 2.00 0.00 0.00 2 178.9109500 -379900.000
679.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23420.000
0.000000000D+00 0.000000000D+00 1.274879698D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.874363630D+04-5.104014160D+01
CsNO3(a) Hexagonal. Gurvich,1982 pt1 p500 pt2 p521.
1 tpis82 CS 1.00N 1.00O 3.00 0.00 0.00 1 194.9103500 -505000.000
200.000 427.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20050.000
-3.246405120D+06 5.377946540D+04-3.399293910D+02 1.103526542D+00-1.665374892D-03
1.005891643D-06 0.000000000D+00 -3.130119262D+05 1.853516509D+03
CsNO3(b) Cubic. Gurvich,1982 pt1 p500 pt2 p521.
1 tpis82 CS 1.00N 1.00O 3.00 0.00 0.00 2 194.9103500 -505000.000
427.000 682.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20050.000
-8.675315803D+05 0.000000000D+00 2.211459244D+01-4.596061584D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.970758310D+04-1.102656798D+02
CsNO3(L) Cubic. Gurvich,1982 pt1 p500 pt2 p521.
1 tpis82 CS 1.00N 1.00O 3.00 0.00 0.00 3 194.9103500 -505000.000
682.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20050.000
0.000000000D+00 0.000000000D+00 1.804075045D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.506630270D+04-8.345202339D+01
CsOH(b) Beta. Gurvich,1997.
2 g 8/97 CS 1.00O 1.00H 1.00 0.00 0.00 1 149.9127900 -416200.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14103.000
-1.070491244D+06 2.726790967D+04-2.447999195D+02 9.717566950D-01-1.304183626D-03
0.000000000D+00 0.000000000D+00 -1.676915176D+05 1.260979156D+03
298.150 498.2007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14103.000
2.988510447D+05 0.000000000D+00-5.599488124D+00 4.758933479D-02-3.982976748D-05
0.000000000D+00 0.000000000D+00 -4.914854260D+04 3.370083195D+01
CsOH(c) Gamma. Gurvich,1997.
1 g 8/97 CS 1.00O 1.00H 1.00 0.00 0.00 3 149.9127900 -416200.000
498.200 615.5007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14103.000
0.000000000D+00 0.000000000D+00 8.743750383D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.198053970D+04-3.591737929D+01
CsOH(L) Liquid. Gurvich,1997.
1 g 8/97 CS 1.00O 1.00H 1.00 0.00 0.00 4 149.9127900 -416200.000
615.500 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14103.000
0.000000000D+00 0.000000000D+00 1.022309192D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.195536080D+04-4.389810453D+01
CsO2(a) Tetragonal. Gurvich,1982 pt1 p472 pt2 p494.
1 tpis82 CS 1.00O 2.00 0.00 0.00 0.00 1 164.9042500 -286100.000
298.150 403.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18000.000
0.000000000D+00 0.000000000D+00 6.423469330D+00 1.032375931D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.678373920D+04-2.259778952D+01
CsO2(c) Cubic. Gurvich,1982 pt1 p472 pt2 p494.
1 tpis82 CS 1.00O 2.00 0.00 0.00 0.00 2 164.9042500 -286100.000
403.000 723.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18000.000
0.000000000D+00 0.000000000D+00 1.058390693D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.762205990D+04-4.339551574D+01
CsO2(L) Liquid. Gurvich,1982 pt1 p472 pt2 p494.
1 tpis82 CS 1.00O 2.00 0.00 0.00 0.00 3 164.9042500 -286100.000
723.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18000.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.645253810D+04-4.983623140D+01
Cs2CO3(cr) Gurvich,1982 pt1 p502 pt2 p523.
2 tpis82 CS 2.00C 1.00O 3.00 0.00 0.00 1 325.8198000 -1134900.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25727.000
-2.861109977D+06 6.041289230D+04-5.002404530D+02 2.198717904D+00-5.002265900D-03
5.885981300D-06-2.807201102D-09 -4.049923380D+05 2.581625553D+03
500.000 1066.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25727.000
-2.194678436D+05 0.000000000D+00 1.478581229D+01 8.646042770D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.420250493D+05-6.346394980D+01
Cs2CO3(L) Liquid. Gurvich,1982 pt1 502 pt2 p523.
1 tpis82 CS 2.00C 1.00O 3.00 0.00 0.00 2 325.8198000 -1134900.000
1066.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25727.000
0.000000000D+00 0.000000000D+00 2.465569228D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.436995486D+05-1.194626528D+02
Cs2O(cr) Hexagonal. Gurvich,1982 pt1 p472 pt2 p495.
2 tpis82 CS 2.00O 1.00 0.00 0.00 0.00 1 281.8103000 -346400.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17680.000
-5.627068090D+05 9.379197410D+03-5.661406600D+01 2.388479040D-01-4.761089540D-04
5.101511920D-07-2.256975084D-10 -8.742010290D+04 3.144128417D+02
500.000 768.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17680.000
0.000000000D+00 0.000000000D+00 7.940814720D+00 4.024410190D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.420852680D+04-2.877552024D+01
Cs2O(L) Liquid. Gurvich,1982 pt1 p472 pt2 p495.
1 tpis82 CS 2.00O 1.00 0.00 0.00 0.00 2 281.8103000 -346400.000
768.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17680.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.375456510D+04-4.970156357D+01
Cs2O2(cr) Rhombic Gurvich,1982 pt1 p475 pt2 p498.
1 tpis82 CS 2.00O 2.00 0.00 0.00 0.00 1 297.8097000 -440000.000
298.150 867.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21300.000
0.000000000D+00 0.000000000D+00 1.003895599D+01 4.651506824D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.611939360D+04-3.693586892D+01
Cs2O2(L) Liquid. Gurvich,1982 pt1 p475 pt2 p498.
1 tpis82 CS 2.00O 2.00 0.00 0.00 0.00 2 297.8097000 -440000.000
867.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21300.000
0.000000000D+00 0.000000000D+00 1.611640373D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.699432080D+04-7.096530706D+01
Cs2SO4(a) Rhombohedral. Gurvich,1982 pt1 p496 pt2 p517.
2 tpis82 CS 2.00S 1.00O 4.00 0.00 0.00 1 361.8735000 -1442900.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27740.000
-9.607719290D+06 1.823999086D+05-1.398882747D+03 5.671901780D+00-1.240281336D-02
1.414114808D-05-6.571017390D-09 -9.952928170D+05 7.301725680D+03
500.000 920.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27740.000
-2.673923999D+05 0.000000000D+00 1.731761674D+01 9.163180750D-03-1.678705593D-05
2.444634119D-08 0.000000000D+00 -1.799058942D+05-7.688396220D+01
Cs2SO4(b) Gurvich,1982 pt1 p496 pt2 p517.
1 tpis82 CS 2.00S 1.00O 4.00 0.00 0.00 2 361.8735000 -1442900.000
920.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27740.000
0.000000000D+00 0.000000000D+00-2.345297558D+01 5.324523033D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.607408251D+05 1.601933430D+02
Cs2SO4(c) Hexagonal. Gurvich,1982 pt1 p496 pt2 p517.
1 tpis82 CS 2.00S 1.00O 4.00 0.00 0.00 3 361.8735000 -1442900.000
1000.000 1288.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27740.000
0.000000000D+00 0.000000000D+00 1.021611616D+01 1.412157782D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.748480906D+05-3.326085070D+01
Cs2SO4(L) Liquid. Gurvich,1982 pt1 p496 pt2 p517.
1 tpis82 CS 2.00S 1.00O 4.00 0.00 0.00 4 361.8735000 -1442900.000
1288.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27740.000
0.000000000D+00 0.000000000D+00 2.489623562D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.778210954D+05-1.169167420D+02
Cu(cr) Cubic. Ref-Elm.Cox,1989 p226.
1 coda89 CU 1.00 0.00 0.00 0.00 0.00 1 63.5460000 0.000
200.000 1358.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5004.000
-2.455775109D+04 1.648069205D+02 2.080947143D+00 2.639078305D-03-2.714101362D-06
1.402864982D-09-9.724321640D-14 -1.737850969D+03-8.133166800D+00
Cu(L) Liquid. Ref-Elm.Cox,1989 p226.
1 coda89 CU 1.00 0.00 0.00 0.00 0.00 2 63.5460000 0.000
1358.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5004.000
0.000000000D+00 0.000000000D+00 3.944910764D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.111013775D+02-1.836065775D+01
CuBr(a) Alpha. Pankratz,1984 p177.
1 g10/00 CU 1.00BR 1.00 0.00 0.00 0.00 1 143.4500000 -105604.160
298.150 657.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
9.282973940D+07-1.403844530D+06 8.783223470D+03-2.905323712D+01 5.373393350D-02
-5.266133060D-05 2.137926033D-08 6.589039380D+06-4.752115490D+04
CuBr(b) Beta. Pankratz,1984 p177.
1 g10/00 CU 1.00BR 1.00 0.00 0.00 0.00 2 143.4500000 -105604.160
657.000 741.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
2.030134717D+04 0.000000000D+00 8.680899310D+00 1.192698187D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.494845171D+04-3.784920540D+01
CuBr(c) Gamma. Pankratz,1984 p177.
1 g10/00 CU 1.00BR 1.00 0.00 0.00 0.00 3 143.4500000 -105604.160
741.000 759.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 6.996549990D+00-2.480878428D-06 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.343768009D+04-2.630094995D+01
CuBr(L) Liquid. Pankratz,1984 p177.
1 g10/00 CU 1.00BR 1.00 0.00 0.00 0.00 4 143.4500000 -105604.160
759.000 1500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
5.249558100D+06-2.757081290D+04 7.103036660D+01-7.368389880D-02 4.263508020D-05
-1.219118967D-08 1.489531692D-12 1.442863364D+05-4.366365590D+02
CuBr2(cr) Crystal. Pankratz,1984 p181.
1 g10/00 CU 1.00BR 2.00 0.00 0.00 0.00 1 223.3540000 -138490.400
298.150 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-2.314796663D+04 0.000000000D+00 9.183704151D+00 6.239886656D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.949996594D+04-3.714221219D+01
CuCL(a) Alpha. Pankratz,1984 p182.
1 g10/00 CU 1.00CL 1.00 0.00 0.00 0.00 1 98.9990000 -155644.800
298.150 685.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-3.658126050D+07 4.622460750D+05-2.297616527D+03 5.656465110D+00-6.837763380D-03
3.261042890D-06 0.000000000D+00 -2.287516266D+06 1.303469843D+04
CuCL(b) Beta. Pankratz,1984 p182.
1 g10/00 CU 1.00CL 1.00 0.00 0.00 0.00 2 98.9990000 -155644.800
685.000 696.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 9.573589740D+00-1.820889604D-05 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.177033413D+04-4.503412690D+01
CuCL(L) Liquid. Pankratz,1984 p182.
1 g10/00 CU 1.00CL 1.00 0.00 0.00 0.00 3 98.9990000 -155644.800
696.000 1700.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
2.136369978D+07-1.123842012D+05 2.576303311D+02-2.967521373D-01 1.937139129D-04
-6.602332990D-08 9.216872010D-12 6.263960470D+05-1.640361694D+03
CuCL2(cr) Crystal. Pankratz,1984 p185.
1 g10/00 CU 1.00CL 2.00 0.00 0.00 0.00 1 134.4520000 -217986.400
298.150 675.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-2.119456576D+04-7.996037250D+02 1.293400534D+01-6.531311580D-03 7.387791880D-06
-2.975231314D-09 0.000000000D+00 -2.535822405D+04-6.185052500D+01
CuCL2(L) Liquid. Pankratz,1984 p185.
1 g10/00 CU 1.00CL 2.00 0.00 0.00 0.00 2 134.4520000 -217986.400
675.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 9.913368316D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.929700009D+04-4.386870689D+01
CuF(cr) Crystal. Pankratz,1984 p186.
1 g10/00 CU 1.00F 1.00 0.00 0.00 0.00 1 82.5444032 -209200.000
298.150 1300.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
8.970191630D+04-8.507461080D+02 7.497889560D+00 2.741560003D-03-2.987072214D-06
1.372974641D-09-2.449154828D-13 -2.234632002D+04-3.796523780D+01
CuF2(cr) Crystal. Pankratz,1984 p188.
1 g10/00 CU 1.00F 2.00 0.00 0.00 0.00 1 101.5428064 -539819.680
298.150 1109.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
2.173703718D+04-4.937180300D+02 7.140314880D+00 9.517087050D-03-7.459164380D-06
1.904472482D-09 4.473847180D-13 -6.452906470D+04-3.535501070D+01
CuF2(L) Liquid. Pankratz,1984 p188.
1 g10/00 CU 1.00F 2.00 0.00 0.00 0.00 2 101.5428064 -539819.680
1109.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 1.207719998D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.351133500D+04-5.654007188D+01
CuI(a) King,1973. Pankratz,1984 p190.
1 g11/00 CU 1.00I 1.00 0.00 0.00 0.00 1 190.4504700 -67780.800
200.000 642.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12179.624
3.341893600D+07-6.258598240D+05 4.752824990D+03-1.866377479D+01 4.013741700D-02
-4.477073620D-05 2.026229192D-08 2.806623546D+06-2.484310642D+04
CuI(b) Beta. Pankratz,1984 p190.
1 g11/00 CU 1.00I 1.00 0.00 0.00 0.00 2 190.4504700 -67780.800
642.000 680.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12179.624
0.000000000D+00 0.000000000D+00 1.665647164D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.582086031D+04-8.975455543D+01
CuI(c) Gamma. Pankratz,1984 p190.
1 g11/00 CU 1.00I 1.00 0.00 0.00 0.00 3 190.4504700 -67780.800
680.000 868.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12179.624
0.000000000D+00 0.000000000D+00 8.252753319D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.787795700D+03-3.447628919D+01
CuI(L) Liquid. Pankratz,1984 p190.
1 g11/00 CU 1.00I 1.00 0.00 0.00 0.00 4 190.4504700 -67780.800
868.000 1600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12179.624
-1.011252768D+08 4.982205420D+05-1.002812164D+03 1.087833779D+00-6.564648130D-04
2.096109501D-07-2.761239948D-11 -2.912510925D+06 6.575842050D+03
CuO(cr) Crystal. King,1973 p56.
2 g11/00 CU 1.00O 1.00 0.00 0.00 0.00 1 79.5454000 -155644.800
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7100.248
-4.516917320D+05 5.470078090D+03-2.199474390D+01 5.929815860D-02-4.346152590D-05
0.000000000D+00 0.000000000D+00 -4.709485370D+04 1.305030297D+02
500.000 1400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7100.248
1.200465628D+06-7.265787600D+03 2.078520457D+01-1.455522591D-02 1.267438982D-05
-1.010207859D-08 3.818025500D-12 2.099455971D+04-1.272540351D+02
Cu(OH)2(cr) Crystal. King,1973 p62.
1 g10/00 CU 1.00O 2.00H 2.00 0.00 0.00 1 97.5606800 -443085.600
298.150 2000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-2.719377798D+05 2.064524617D+03 2.639692948D+00 1.680803576D-02-1.185312108D-05
4.128854220D-09-5.731701790D-13 -6.740281360D+04-3.697949500D+00
CuS(cr) Crystal. Pankratz,1987 p99.
1 g10/00 CU 1.00S 1.00 0.00 0.00 0.00 1 95.6110000 -55647.200
298.150 717.8247 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-2.883682516D+06 3.709375520D+04-1.908896435D+02 5.441914820D-01-8.255987560D-04
6.585650750D-07-2.151268669D-10 -1.888895944D+05 1.072934856D+03
CuSO4(cr) Crystal. King,1973 p68.
2 g10/00 CU 1.00S 1.00O 4.00 0.00 0.00 1 159.6086000 -768600.800
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16869.888
-6.059594400D+06 1.149925970D+05-8.865821710D+02 3.621436210D+00-7.953212370D-03
9.136099910D-06-4.293593660D-09 -6.103352510D+05 4.617693800D+03
500.000 1500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16869.888
4.517267510D+06-3.693547470D+04 1.240090231D+02-1.574474634D-01 1.231374136D-04
-4.209750670D-08 3.791447690D-12 1.020928632D+05-7.502604750D+02
Cu2O(cr) Crystal. King,1973 p60.
2 g10/00 CU 2.00O 1.00 0.00 0.00 0.00 1 143.0914000 -170707.200
200.000 600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12598.024
6.943093940D+05-1.107206812D+04 7.007600820D+01-1.693010736D-01 2.296941394D-04
-1.193708373D-07 0.000000000D+00 2.971995795D+04-3.800603570D+02
600.000 1516.7007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12598.024
4.899293250D+06-3.226767710D+04 9.242913240D+01-1.133053506D-01 8.886458460D-05
-3.911779590D-08 8.170753140D-12 1.562364374D+05-5.668285450D+02
Cu2O(L) Liquid. King,1973 p60.
1 g10/00 CU 2.00O 1.00 0.00 0.00 0.00 2 143.0914000 -170707.200
1516.700 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12598.024
0.000000000D+00 0.000000000D+00 1.199819496D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.922442298D+04-5.674847630D+01
Cu2S(a) Alpha. Pankratz,1987 p101.
1 g10/00 CU 2.00S 1.00 0.00 0.00 0.00 1 159.1570000 -75730.400
298.150 376.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
1.219944245D+05 0.000000000D+00 2.442685885D+00 1.822933284D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.023757104D+04-4.696533160D+00
Cu2S(b) Beta. Pankratz,1987 p101.
1 g10/00 CU 2.00S 1.00 0.00 0.00 0.00 2 159.1570000 -75730.400
376.000 720.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-1.211638496D+06 1.256233530D+04-3.683304810D+01 9.547244050D-02-9.864227170D-05
3.946755750D-08 0.000000000D+00 -7.698051300D+04 2.352740334D+02
Cu2S(c) Gamma. Pankratz,1987 p101.
1 g10/00 CU 2.00S 1.00 0.00 0.00 0.00 3 159.1570000 -75730.400
720.000 1400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
1.585983458D+07-9.420242290D+04 2.398981626D+02-2.943865388D-01 2.084368440D-04
-7.757369510D-08 1.184191791D-11 5.203074640D+05-1.502163502D+03
Cu2S(L) Liquid. Pankratz,1987 p101.
1 g10/00 CU 2.00S 1.00 0.00 0.00 0.00 4 159.1570000 -75730.400
1400.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 1.078393315D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.075259326D+04-4.551698813D+01
Fe(a) Alpha. Ref-Elm.Below Lambda trans. Chase,1998 p1221.
3 j 3/78 FE 1.00 0.00 0.00 0.00 0.00 1 55.8450000 0.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4507.000
1.350490931D+04-7.803806250D+02 9.440171470D+00-2.521767704D-02 5.350170510D-05
-5.099094730D-08 1.993862728D-11 2.416521408D+03-4.749002850D+01
500.000 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4507.000
3.543032740D+06-2.447150531D+04 6.561020930D+01-7.043929680D-02 3.181052870D-05
0.000000000D+00 0.000000000D+00 1.345059978D+05-4.133788690D+02
800.000 1042.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4507.000
2.661026334D+09-7.846827970D+06-7.289212280D+02 2.613888297D+01-3.494742140D-02
1.763752622D-05-2.907723254D-09 5.234868470D+07-1.529052200D+04
Fe(a) Alpha. Ref-Elm.Above Lambda trans. Chase,1998 pp1221-5.
1 j 3/78 FE 1.00 0.00 0.00 0.00 0.00 2 55.8450000 0.000
1042.000 1184.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4507.000
2.481923052D+08 0.000000000D+00-5.594349090D+02 3.271704940D-01 0.000000000D+00
0.000000000D+00 0.000000000D+00 6.467503430D+05 3.669168720D+03
Fe(c) Gamma. Ref-Elm. Chase,1998 pp1221-5.
1 j 3/78 FE 1.00 0.00 0.00 0.00 0.00 3 55.8450000 0.000
1184.000 1665.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4507.000
1.442428576D+09-5.335491340D+06 8.052828000D+03-6.303089630D+00 2.677273007D-03
-5.750045530D-07 4.718611960D-11 3.264264250D+07-5.508852170D+04
Fe(d) Delta. Ref-Elm. Chase,1998 pp1221-5.
1 j 3/78 FE 1.00 0.00 0.00 0.00 0.00 4 55.8450000 0.000
1665.000 1809.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4507.000
-3.450190030D+08 0.000000000D+00 7.057501520D+02-5.442977890D-01 1.190040139D-04
0.000000000D+00 0.000000000D+00 -8.045725750D+05-4.545180320D+03
Fe(L) Liquid. Ref-Elm. Chase,1998 pp1221-5.
1 j 3/78 FE 1.00 0.00 0.00 0.00 0.00 5 55.8450000 0.000
1809.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4507.000
0.000000000D+00 0.000000000D+00 5.535383324D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.270608703D+03-2.948115042D+01
Fe(CO)5(L) Liquid. Chase,1998 p697.
1 j 3/78 FE 1.00C 5.00O 5.00 0.00 0.00 1 195.8955000 -766090.400
253.100 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 52934.000
0.000000000D+00 0.000000000D+00 2.811771229D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.005222674D+05-1.196624513D+02
FeCL2(cr) Crystal. Chase,1998 pp819-21.
1 j12/70 FE 1.00CL 2.00 0.00 0.00 0.00 1 126.7510000 -341833.000
200.000 950.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16273.000
-3.757527240D+04 5.932070220D+00 8.822760280D+00 3.742344220D-03-4.622462850D-06
4.041497880D-09-1.447289303D-12 -4.403595790D+04-3.721747350D+01
FeCL2(L) Liquid. Chase,1998 pp819-21.
1 j12/70 FE 1.00CL 2.00 0.00 0.00 0.00 2 126.7510000 -341833.000
950.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16273.000
0.000000000D+00 0.000000000D+00 1.228851730D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.110842530D+04-5.319067642D+01
FeCL3(cr) Pankratz,1984 p228. Stuve,1980.
2 g12/00 FE 1.00CL 3.00 0.00 0.00 0.00 1 162.2040000 -399237.280
200.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19440.538
-4.411357940D+06 9.339652130D+04-7.909985950D+02 3.467913380D+00-7.632263650D-03
7.316486370D-06-1.314023921D-09 -4.596567330D+05 4.056239320D+03
298.150 577.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19440.538
-1.373170458D+05 1.246888186D+03 4.499842520D+00 1.632234838D-02-3.871665510D-06
0.000000000D+00 0.000000000D+00 -5.761466240D+04-9.144353090D+00
FeCL3(L) Pankratz,1984 p228. Stuve,1980.
1 g12/00 FE 1.00CL 3.00 0.00 0.00 0.00 2 162.2040000 -399237.280
577.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19440.538
0.000000000D+00 0.000000000D+00 1.610293331D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.849183540D+04-6.711333581D+01
Fe.947O(cr) Wustite. Pankratz,1983 p155.
1 g11/00 FE 0.95O 1.00 0.00 0.00 0.00 1 69.0521500 -266269.760
298.150 1652.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-1.179193966D+04 1.388393372D+02 2.999841854D+00 1.274527210D-02-1.883886065D-05
1.274258345D-08-3.042206479D-12 -3.417350500D+04-1.284759120D+01
Fe.947O(L) Wustite Liquid. Pankratz,1983 p155.
1 g11/00 FE 0.95O 1.00 0.00 0.00 0.00 2 69.0521500 -266269.760
1652.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 8.147077819D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.255080650D+04-3.995344357D+01
FeOCL(cr) Stuve,1980.
2 g12/00 FE 1.00O 1.00CL 1.00 0.00 0.00 1 107.2974000 -410994.320
200.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12940.275
7.211593840D+08-1.800235674D+07 1.865368524D+05-1.026861036D+03 3.167682830D+00
-5.191522260D-03 3.531434870D-06 7.557107690D+07-9.148719350D+05
298.150 700.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12940.275
-2.937711808D+05 2.628264415D+03-4.552872200D+00 3.806463330D-02-5.536092880D-05
4.502460810D-08-1.258510270D-11 -6.531943100D+04 3.377057910D+01
Fe(OH)2(cr) Crystal. Chase,1998 p1229.
2 j 6/66 FE 1.00O 2.00H 2.00 0.00 0.00 1 89.8596800 -574045.000
298.150 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
4.240926040D+05-5.246013500D+03 3.564078140D+01-5.777285350D-02 8.334162550D-05
-5.353404280D-08 1.183994084D-11 -4.642385900D+04-1.937387923D+02
800.000 1500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
8.260012740D+06-3.584848620D+04 6.631482130D+01-2.947893247D-02 4.572669670D-06
1.317544528D-09-2.977356578D-13 1.429652898D+05-4.364616280D+02
Fe(OH)3(cr) Crystal. Chase,1998 p1231.
1 j 6/66 FE 1.00O 3.00H 3.00 0.00 0.00 1 106.8670200 -832616.000
298.150 1500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-7.418284690D+04 4.915361510D+01 6.351612700D+00 2.730299149D-02-2.006100982D-05
7.511526410D-09-1.262038044D-12 -1.036132609D+05-3.117351481D+01
FeS(a) Alpha. Pankratz,1987. Chase,1998 pp1241-3 9/77.
1 g11/00 FE 1.00S 1.00 0.00 0.00 0.00 1 87.9100000 -99621.040
200.000 411.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9414.000
6.562987140D+06-1.108882861D+05 7.200477640D+02-2.169002385D+00 3.009472055D-03
-1.385164934D-06 0.000000000D+00 4.996994470D+05-3.905129920D+03
FeS(b) Beta. Pankratz,1987. Chase,1998 pp1241-3 9/77.
1 g11/00 FE 1.00S 1.00 0.00 0.00 0.00 2 87.9100000 -99621.040
411.000 598.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9414.000
0.000000000D+00 0.000000000D+00 8.730809152D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.445777846D+04-4.227609187D+01
FeS(c) Gamma. Pankratz,1987. Chase,1998 pp1241-3 9/77.
1 g11/00 FE 1.00S 1.00 0.00 0.00 0.00 3 87.9100000 -99621.040
598.000 1465.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9414.000
-4.651400530D+05 2.845200913D+03 3.227601660D+00 1.639542844D-03-2.119596921D-06
2.366217205D-09-3.529138060D-13 -3.030024550D+04-3.662233560D+00
FeS(L) Liquid. Pankratz,1987. Chase,1998 pp1241-3 9/77.
1 g11/00 FE 1.00S 1.00 0.00 0.00 0.00 4 87.9100000 -99621.040
1465.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9414.000
0.000000000D+00 0.000000000D+00 7.548249987D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.925935040D+03-3.215631501D+01
FeSO4(cr) Chase,1998 p1240.
2 j 6/66 FE 1.00S 1.00O 4.00 0.00 0.00 1 151.9076000 -928848.000
200.000 700.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16769.472
-6.203392950D+05 8.502519150D+03-4.378024090D+01 1.731987422D-01-2.431424518D-04
1.792173046D-07-5.528922570D-11 -1.550636343D+05 2.467116078D+02
700.000 2000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16769.472
-7.679585180D+06 3.308117000D+04-4.678167570D+01 6.781223220D-02-3.741392130D-05
1.099952323D-08-1.320141816D-12 -3.134827612D+05 3.336437670D+02
FeS2(cr) Pyrite. Chase,1998 p1246.
2 j 9/77 FE 1.00S 2.00 0.00 0.00 0.00 1 119.9750000 -171544.000
200.000 600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9641.000
-2.506864207D+05 3.294827830D+03-1.713873471D+01 8.733851000D-02-1.306227449D-04
7.362001640D-08 0.000000000D+00 -3.800873290D+04 9.277002410D+01
600.000 1400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9641.000
9.114353860D+05-5.471736420D+03 2.097363178D+01-1.514620285D-02 1.275975810D-05
-4.881556790D-09 7.710203910D-13 7.794979850D+03-1.227198763D+02
Fe2O3(cr) Hematite below Curie pt. Pankratz,1983 p158.
2 g 1/01 FE 2.00O 3.00 0.00 0.00 0.00 1 159.6882000 -824248.000
298.150 600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-2.713211885D+06 2.323047773D+04-6.765701770D+01 1.306052231D-01-6.970688120D-05
0.000000000D+00 0.000000000D+00 -2.256089397D+05 4.228072580D+02
600.000 960.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
3.333492510D+08-1.859961832D+06 3.885138190D+03-3.562599480D+00 1.231055904D-03
0.000000000D+00 0.000000000D+00 1.058058870D+07-2.555306055D+04
Fe2O3(cr) Hematite above Curie pt. Pankratz,1983 p158.
2 g 1/01 FE 2.00O 3.00 0.00 0.00 0.00 2 159.6882000 -824248.000
960.000 1800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-2.844009066D+07 1.253786450D+05-2.119080355D+02 2.221481558D-01-1.206765164D-04
3.480738050D-08-4.165297860D-12 -8.483926520D+05 1.433002161D+03
1800.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 1.711439880D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.041599645D+05-8.780613745D+01
Fe2(SO4)3(cr) Chase,1998 p1249.
2 j 6/66 FE 2.00S 3.00O 12.00 0.00 0.00 1 399.8778000 -2582992.400
298.150 700.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-3.987499800D+06 4.471584410D+04-1.871627045D+02 5.203843270D-01-5.255167310D-04
2.053709591D-07 0.000000000D+00 -5.418976280D+05 1.097303717D+03
700.000 2000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-1.749475174D+07 7.308320780D+04-9.392951360D+01 1.468051405D-01-7.963099160D-05
2.311696556D-08-2.739014918D-12 -7.607146510D+05 6.865330290D+02
Fe3O4(cr) Magnetite. Pankratz,1983 p160. Westrum,1969.
3 g 1/01 FE 3.00O 4.00 0.00 0.00 0.00 1 231.5326000 -1118383.200
200.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24762.073
-5.182671230D+07 1.293463453D+06-1.341121962D+04 7.401842440D+01-2.285725885D-01
3.752884300D-04-2.559338368D-07 -5.570751240D+06 6.575689710D+04
298.150 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24762.073
-4.407671380D+06 5.351760270D+04-2.613667759D+02 7.431931490D-01-9.767843990D-04
5.858865440D-07-8.780843180D-11 -4.018075450D+05 1.478276107D+03
800.000 850.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24762.073
0.000000000D+00 0.000000000D+00-1.070116148D+02 1.738436706D-01 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.231022600D+04 6.169265720D+02
Fe3O4(cr) Magnetite above Curie Pt. Pankratz,1983 p160.
1 g 1/01 FE 3.00O 4.00 0.00 0.00 0.00 2 231.5326000 -1118383.200
850.000 1870.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24762.073
5.731691980D+07-1.816105186D+05 2.777813396D+02-1.849830315D-01 6.145641150D-05
-3.660350860D-09-1.383713617D-12 9.906992850D+05-1.868855147D+03
Fe3O4(L) Liquid. Chase,1998 p1250 6/65.
1 g 1/01 FE 3.00O 4.00 0.00 0.00 0.00 3 231.5326000 -1118383.200
1870.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24762.073
0.000000000D+00 0.000000000D+00 2.415439996D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.242541349D+05-1.109781572D+02
Ga(cr) Rhombic. Ref-Elm. Gurvich,1996a pt1 p209 pt2 p169.
1 tpis96 GA 1.00 0.00 0.00 0.00 0.00 1 69.7230000 0.000
100.000 302.9207 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5640.000
1.665524651D+03-1.667535996D+02 3.860876380D+00-1.325442179D-03 2.405494396D-06
0.000000000D+00 0.000000000D+00 -1.577791876D+02-1.730178030D+01
Ga(L) Liquid. Ref-Elm. Gurvich,1996a pt1 p209 pt2 p169.
1 tpis96 GA 1.00 0.00 0.00 0.00 0.00 2 69.7230000 0.000
302.920 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5640.000
2.846830421D+04 0.000000000D+00 3.135362156D+00-3.620177256D-05 2.898547239D-08
0.000000000D+00 0.000000000D+00 -1.716496723D+02-1.053717280D+01
GaBr3(cr) Gurvich,1996a pt1 p242 pt2 p195.
1 tpis96 GA 1.00BR 3.00 0.00 0.00 0.00 1 309.4350000 -387000.000
298.150 397.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25000.000
0.000000000D+00 0.000000000D+00 3.563409028D+00 2.798433101D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.885137800D+04-6.997495329D+00
GaBr3(L) Liquid. Gurvich,1996a pt1 p242 pt2 p195.
1 tpis96 GA 1.00BR 3.00 0.00 0.00 0.00 2 309.4350000 -387000.000
397.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25000.000
0.000000000D+00 0.000000000D+00 1.544288238D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.990695050D+04-6.330801668D+01
GaCL3(cr) Triclinic. Gurvich,1996a pt1 p234 pt2 p188.
1 tpis96 GA 1.00CL 3.00 0.00 0.00 0.00 1 176.0820000 -527000.000
298.150 351.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20000.000
0.000000000D+00 0.000000000D+00 2.725476306D+00 2.958442530D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.551070110D+04-8.232857519D+00
GaCL3(L) Liquid. Gurvich,1996a pt1 p234 pt2 p188.
1 tpis96 GA 1.00CL 3.00 0.00 0.00 0.00 2 176.0820000 -527000.000
351.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20000.000
0.000000000D+00 0.000000000D+00 1.310961199D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.599449360D+04-5.489418092D+01
GaF3(cr) Hexagonal. Gurvich,1996a pt1 p226 pt2 p181.
1 tpis96 GA 1.00F 3.00 0.00 0.00 0.00 1 126.7182096 -1175000.000
298.150 2000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16700.000
0.000000000D+00 0.000000000D+00 9.361585950D+00 4.503211855D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.443105216D+05-4.313509369D+01
GaI3(cr) Rhombic. Gurvich,1996a pt1 p249 pt2 p202.
1 tpis96 GA 1.00I 3.00 0.00 0.00 0.00 1 450.4364100 -218000.000
298.150 485.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 29000.000
0.000000000D+00 0.000000000D+00 6.461715723D+00 1.866676449D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.897546082D+04-1.772605384D+01
GaI3(L) Liquid. Gurvich,1996a pt1 p249 pt2 p202.
1 tpis96 GA 1.00I 3.00 0.00 0.00 0.00 2 450.4364100 -218000.000
485.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 29000.000
0.000000000D+00 0.000000000D+00 1.656140891D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.012686264D+04-6.793170105D+01
Ga2O3(cr) Monoclinic. Gurvich,1996a pt1 p219 pt2 p176.
2 tpis96 GA 2.00O 3.00 0.00 0.00 0.00 1 187.4442000 -1091000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14550.000
-1.515635939D+07 2.787922412D+05-2.090093764D+03 8.236854680D+00-1.771414598D-02
1.991804320D-05-9.167934200D-09 -1.391968792D+06 1.094221304D+04
500.000 2080.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14550.000
-2.857534599D+05 0.000000000D+00 1.375883846D+01 1.799504721D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.363570445D+05-7.032081677D+01
Ga2O3(L) Liquid. Gurvich,1996a pt1 p219 pt2 p176.
1 tpis96 GA 2.00O 3.00 0.00 0.00 0.00 3 187.4442000 -1091000.000
2080.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14550.000
0.000000000D+00 0.000000000D+00 1.924346714D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.317078351D+05-1.026657694D+02
Ge(cr) Cubic. Ref-Elm. Gurvich,1991 pt1 p308 pt2 p268.
2 tpis91 GE 1.00 0.00 0.00 0.00 0.00 1 72.6400000 0.000
200.000 400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4636.360
-2.396506145D+05 3.150572150D+03-1.333941357D+01 3.647997810D-02-2.942104614D-05
0.000000000D+00 0.000000000D+00 -1.613882957D+04 7.939211600D+01
400.000 1211.4007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4636.360
-1.888241797D+04 0.000000000D+00 2.898173070D+00 3.591659130D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.433864080D+02-1.298669726D+01
Ge(L) Liquid. Ref-Elm. Gurvich,1991 pt1 p308 pt2 p268.
1 tpis91 GE 1.00 0.00 0.00 0.00 0.00 2 72.6400000 0.000
1211.400 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4636.360
0.000000000D+00 0.000000000D+00 3.319498082D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 3.278996640D+03-1.185992953D+01
GeO2(II) Tetragonal Rutile, Gurvich,1991 pt1 p319 pt2 p275.
2 tpis91 GE 1.00O 2.00 0.00 0.00 0.00 1 104.6388000 -580200.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7230.400
-1.362061010D+04 0.000000000D+00 1.390091028D+00 1.608814892D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.095682740D+04-8.017483700D+00
298.150 1308.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7230.400
-2.763121338D+05 0.000000000D+00 9.404643208D+00-1.212218158D-03 1.110107511D-06
0.000000000D+00 0.000000000D+00 -7.346830070D+04-5.004997052D+01
GeO2(I) Hexagonal alpha-quartz,Gurvich,1991 pt1 p319 pt2 p275.
1 tpis91 GE 1.00O 2.00 0.00 0.00 0.00 3 104.6388000 -580200.000
1308.000 1388.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7230.400
-1.535267863D+05 0.000000000D+00 7.481860025D+00 1.711465859D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.994652970D+04-3.711331960D+01
GeO2(L) Tetragonal liquid,Gurvich,1991 pt1 p319 pt2 p275.
1 tpis91 GE 1.00O 2.00 0.00 0.00 0.00 4 104.6388000 -580200.000
1388.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7230.400
0.000000000D+00 0.000000000D+00 9.441326067D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.883837870D+04-4.738551165D+01
GeS(cr) Crystal(II). Gurvich,1991 pt1 p342 pt2 p296.
2 tpis91 GE 1.00S 1.00 0.00 0.00 0.00 1 104.7050000 -75348.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9657.400
-1.753890915D+04 0.000000000D+00 4.967049230D+00 3.277123440D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.074763864D+04-2.138030847D+01
298.150 931.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9657.400
0.000000000D+00 0.000000000D+00 5.015328624D+00 2.453542061D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.066660187D+04-2.131118286D+01
GeS(L) Liquid. Gurvich,1991 pt1 p342 pt2 p296.
1 tpis91 GE 1.00S 1.00 0.00 0.00 0.00 3 104.7050000 -75348.000
931.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9657.400
0.000000000D+00 0.000000000D+00 8.058201866D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.874413010D+03-3.707715519D+01
GeS2(II) Crystal II. Gurvich,1991 pt1 p345 pt2 p298.
2 tpis91 GE 1.00S 2.00 0.00 0.00 0.00 1 136.7700000 -121500.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12750.300
-2.239538329D+04 0.000000000D+00 5.754200020D+00 8.048243800D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.676145505D+04-2.405323435D+01
298.150 1113.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12750.300
-3.367606750D+04 0.000000000D+00 7.889821529D+00 1.310961199D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.713657615D+04-3.427587425D+01
GeS2(L) Liquid. Gurvich,1991 pt1 p345 pt2 p298.
1 tpis91 GE 1.00S 2.00 0.00 0.00 0.00 2 136.7700000 -121500.000
1113.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12750.300
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.893876733D+04-6.006450099D+01
HBO2(cr) Crystal,metaboric acid. Gurvich,1996a pt1 p41 pt2 p25.
1 tpis96 H 1.00B 1.00O 2.00 0.00 0.00 1 43.8177400 -804600.000
298.150 509.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8460.200
0.000000000D+00 0.000000000D+00 4.478916978D+00 7.045514408D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.841912440D+04-2.172637097D+01
HBO2(L) Liquid, metaboric acid. Gurvich,1996a pt1 p41 pt2 p25.
1 tpis96 H 1.00B 1.00O 2.00 0.00 0.00 2 43.8177400 -804600.000
509.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8460.200
0.000000000D+00 0.000000000D+00 1.262852531D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.993471070D+04-6.555326576D+01
H2O(cr) Ice. Gordon,1982.
1 g11/99 H 2.00O 1.00 0.00 0.00 0.00 1 18.0152800 -299108.000
200.000 273.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-4.026777480D+05 2.747887946D+03 5.738336630D+01-8.267915240D-01 4.413087980D-03
-1.054251164D-05 9.694495970D-09 -5.530314990D+04-1.902572063D+02
H2O(L) Liquid. Cox,1989. Haar,1984. Keenan,1984. Stimson,1969.
2 g 8/01 H 2.00O 1.00 0.00 0.00 0.00 2 18.0152800 -285830.000
273.150 373.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13278.000
1.326371304D+09-2.448295388D+07 1.879428776D+05-7.678995050D+02 1.761556813D+00
-2.151167128D-03 1.092570813D-06 1.101760476D+08-9.779700970D+05
373.150 600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13278.000
1.263631001D+09-1.680380249D+07 9.278234790D+04-2.722373950D+02 4.479243760D-01
-3.919397430D-04 1.425743266D-07 8.113176880D+07-5.134418080D+05
H2SO4(L) Chase,1998 p1335.
1 j 9/77 H 2.00S 1.00O 4.00 0.00 0.00 1 98.0784800 -813988.832
283.456 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 28226.000
-7.749933850D+04 1.040538662D+03 4.433804910D+00 3.648845480D-02-1.743440132D-05
1.175631937D-08-3.170091690D-12 -1.068997367D+05-1.353966639D+01
H3BO3(cr) Triclinic,orthoboric acid. Gurvich,1996a pt1 p48 pt2 p31.
1 tpis96 H 3.00B 1.00O 3.00 0.00 0.00 1 61.8330200 -1094800.000
200.000 444.1007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13520.430
2.370260101D+06-3.116426553D+04 1.488140666D+02-2.710868145D-01 2.274904549D-04
0.000000000D+00 0.000000000D+00 1.950811769D+04-8.575441950D+02
H3BO3(L) Liquid,orthoboric acid. Gurvich,1996a pt1 p48 pt2 p31.
1 tpis96 H 3.00B 1.00O 3.00 0.00 0.00 2 61.8330200 -1094800.000
444.100 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13520.430
0.000000000D+00 0.000000000D+00 2.164890054D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.367426553D+05-1.100910256D+02
H3PO4(cr) Crystal,Phosphoric acid. Chase,1998 p1345-7.
1 j12/71 H 3.00P 1.00O 4.00 0.00 0.00 1 97.9951810 -1284488.000
200.000 315.5007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16980.000
2.733365471D+03 0.000000000D+00 1.109347863D+00 4.129024570D-02-7.810353320D-06
0.000000000D+00 0.000000000D+00 -1.565753156D+05-4.973473130D+00
H3PO4(L) Liquid,Phosphoric acid. Chase,1998 pp1345-7.
1 j12/71 H 3.00P 1.00O 4.00 0.00 0.00 2 97.9951810 -1284488.000
315.500 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16980.000
4.109081110D+04-4.410343500D+02 8.547791650D+00 3.198261330D-02 5.167529530D-06
-3.256216600D-09 8.323148740D-13 -1.543175380D+05-4.155398650D+01
Hg(cr) Tetragonal. Ref-Elm. Chase,1998 pp1373-4.
1 j12/61 HG 1.00 0.00 0.00 0.00 0.00 1 200.5900000 0.000
100.000 234.2907 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9343.000
-3.184586610D+03 0.000000000D+00 3.464424870D+00-4.054864610D-03 1.766281131D-05
0.000000000D+00 0.000000000D+00 -1.282454336D+03-1.132010161D+01
Hg(L) Liquid. Ref-Elm. Chase,1998 pp1373-4.
2 j12/61 HG 1.00 0.00 0.00 0.00 0.00 2 200.5900000 0.000
234.290 600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9343.000
1.058325418D+05-1.993826150D+03 1.880577074D+01-5.994680920D-02 1.228327030D-04
-1.293155349D-07 5.530734430D-11 7.916778390D+03-9.064871100D+01
600.000 2000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9343.000
7.913840080D+05-3.956327060D+03 1.106465862D+01-8.153982650D-03 4.970504160D-06
-1.510428227D-09 1.872051162D-13 2.213772421D+04-6.072461670D+01
HgBr2(cr) Chase,1998 p482 3/62. Pankratz,1984 p302.
1 g12/00 HG 1.00BR 2.00 0.00 0.00 0.00 1 360.3980000 -175309.600
298.150 514.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-1.853158540D+06 2.003808568D+04-7.235875200D+01 1.451267662D-01-9.240269430D-05
0.000000000D+00 0.000000000D+00 -1.255295454D+05 4.503769710D+02
HgBr2(L) Chase,1998 pp482-4 3/62.
1 g12/00 HG 1.00BR 2.00 0.00 0.00 0.00 2 360.3980000 -175309.600
514.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 1.227853475D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.320342036D+04-4.684603799D+01
HgO(cr) Chase,1998 p1382.
2 j 6/62 HG 1.00O 1.00 0.00 0.00 0.00 1 216.5894000 -90789.000
200.000 400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9104.000
-1.062935837D+04 0.000000000D+00 3.345782860D+00 8.775373380D-03-6.110417750D-06
0.000000000D+00 0.000000000D+00 -1.228859467D+04-1.301600791D+01
400.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9104.000
1.582008299D+06-1.511620794D+04 6.157172990D+01-1.075963114D-01 1.203602940D-04
-7.037671400D-08 1.672097585D-11 6.599870400D+04-3.568628600D+02
I2(cr) Rhombic. Ref-Elm. Gurvich,1989 pt1 p219 pt2 p315.
1 tpis89 I 2.00 0.00 0.00 0.00 0.00 1 253.8089400 0.000
200.000 386.7507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13196.000
-3.901269140D+06 9.143202330D+04-8.900457500D+02 4.671270160D+00-1.357161837D-02
2.073947355D-05-1.292905191D-08 -3.912632630D+05 4.422603650D+03
I2(L) Liquid. Ref-Elm. Gurvich,1989 pt1 p219 pt2 p315.
1 tpis89 I 2.00 0.00 0.00 0.00 0.00 2 253.8089400 0.000
386.750 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13196.000
0.000000000D+00 0.000000000D+00 9.568212679D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.204453805D+03-3.637326088D+01
In(cr) Tetragonal. Ref-Elm. Gurvich,1996a pt1 255 pt2 p207.
1 tpis96 IN 1.00 0.00 0.00 0.00 0.00 1 114.8180000 0.000
100.000 429.7847 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6610.080
8.511616870D+03-3.450470040D+02 6.838785170D+00-1.818530679D-02 4.122421420D-05
-2.960008730D-08 0.000000000D+00 4.580589980D+02-2.928914154D+01
In(L) Liquid. Ref-Elm. Gurvich,1996a pt1 255 pt2 p207.
1 tpis96 IN 1.00 0.00 0.00 0.00 0.00 2 114.8180000 0.000
429.784 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6610.080
5.092302493D+04 0.000000000D+00 3.302178962D+00-1.313366633D-04 6.037637816D-08
0.000000000D+00 0.000000000D+00 -4.511517590D+02-1.075015830D+01
InBr(cr) Rhombic Gurvich,1996a pt1 p289 pt2 p232.
1 tpis96 IN 1.00BR 1.00 0.00 0.00 0.00 1 194.7220000 -175000.000
298.150 558.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12200.000
0.000000000D+00 0.000000000D+00 4.633586345D+00 4.628534935D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.263476911D+04-1.455042037D+01
InBr(L) Liquid Gurvich,1996a pt1 p289 pt2 p232
1 tpis96 IN 1.00BR 1.00 0.00 0.00 0.00 2 194.7220000 -175000.000
558.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12200.000
0.000000000D+00 0.000000000D+00 8.419016875D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.222238473D+04-3.267500998D+01
InBr3(cr) Gurvich,1996a pt1 p292 pt2 p235.
1 tpis96 IN 1.00BR 3.00 0.00 0.00 0.00 1 354.5300000 -399000.000
298.150 693.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24500.000
0.000000000D+00 0.000000000D+00 1.154114915D+01 2.436824299D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.153769860D+04-4.543581045D+01
InBr3(L) Liquid Gurvich,1996a pt1 p292 pt2 p235.
1 tpis96 IN 1.00BR 3.00 0.00 0.00 0.00 2 354.5300000 -399000.000
693.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24500.000
0.000000000D+00 0.000000000D+00 1.623667540D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.107949370D+04-6.994831229D+01
InCL(crII) Cubic Gurvich,1996a pt1 p280 pt2 p224.
1 tpis96 IN 1.00CL 1.00 0.00 0.00 0.00 1 150.2710000 -186500.000
298.150 387.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12400.000
0.000000000D+00 0.000000000D+00 5.163984408D+00 3.438567035D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.412314134D+04-1.842034240D+01
InCL(crI) Rhombic Gurvich,1996a pt1 p280 pt2 p224.
1 tpis96 IN 1.00CL 1.00 0.00 0.00 0.00 2 150.2710000 -186500.000
387.000 484.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12400.000
0.000000000D+00 0.000000000D+00 6.735213500D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.441117035D+04-2.629006183D+01
InCL(L) Liquid Gurvich,1996a pt1 p280 pt2 p224
1 tpis96 IN 1.00CL 1.00 0.00 0.00 0.00 3 150.2710000 -186500.000
484.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12400.000
0.000000000D+00 0.000000000D+00 8.058201866D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.248971016D+04-2.917594080D+01
InCl3(cr) Monoclinic Gurvich,1996a pt1 p284 pt2 p227.
1 tpis96 IN 1.00CL 3.00 0.00 0.00 0.00 1 221.1770000 -530000.000
298.150 856.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21000.000
0.000000000D+00 0.000000000D+00 1.093437857D+01 3.665158861D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.716697410D+04-4.631386948D+01
InCl3(L) Liquid Gurvich,1996a pt1 p284 pt2 p227.
1 tpis96 IN 1.00CL 3.00 0.00 0.00 0.00 2 221.1770000 -530000.000
856.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21000.000
0.000000000D+00 0.000000000D+00 1.407178535D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.526246230D+04-6.056749656D+01
InF3(cr) Hexagonal Gurvich,1996a pt1 p274 pt2 p219.
1 tpis96 IN 1.00F 3.00 0.00 0.00 0.00 1 171.8132096 -1190000.000
298.150 1445.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19400.000
0.000000000D+00 0.000000000D+00 9.751747247D+00 4.404348542D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.462265291D+05-4.364479594D+01
InF3(L) Liquid Gurvich,1996a pt1 p274 pt2 p219.
1 tpis96 IN 1.00F 3.00 0.00 0.00 0.00 2 171.8132096 -1190000.000
1445.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19400.000
0.000000000D+00 0.000000000D+00 1.611640373D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.431278760D+05-7.826197980D+01
InI(cr) Rhombic Gurvich,1996a pt1 p296 pt2 p240
1 tpis96 IN 1.00I 1.00 0.00 0.00 0.00 1 241.7224700 -102500.000
200.000 637.5007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13354.000
-9.253976720D+04 1.215133840D+03-1.038882859D-02 1.368794477D-02-9.117964390D-06
1.596277777D-09 1.519819589D-12 -2.009017203D+04 1.436598613D+01
InI(L) Liquid Gurvich,1996a pt1 p296 pt2 p240
1 tpis96 IN 1.00I 1.00 0.00 0.00 0.00 2 241.7224700 -102500.000
637.500 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13354.000
0.000000000D+00 0.000000000D+00 8.443071209D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.331949891D+04-3.168475714D+01
InI2(crII) Gurvich,1996a pt1 p299 pt2 p242.
1 tpis96 IN 1.00I 2.00 0.00 0.00 0.00 1 368.6269400 -176000.000
200.000 428.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19197.000
2.657410907D+04 0.000000000D+00 6.946210170D+00 6.889884760D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.345592914D+04-2.056620828D+01
InI2(crI) Gurvich,1996a pt1 p299 pt2 p242.
1 tpis96 IN 1.00I 2.00 0.00 0.00 0.00 2 368.6269400 -176000.000
428.000 497.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19197.000
0.000000000D+00 0.000000000D+00 1.080520680D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.438345996D+04-4.070950647D+01
InI2(L) Liquid Gurvich,1996a pt1 p299 pt2 p242.
1 tpis96 IN 1.00I 2.00 0.00 0.00 0.00 3 368.6269400 -176000.000
497.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19197.000
0.000000000D+00 0.000000000D+00 1.379516051D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.444424767D+04-5.640525880D+01
InI3(cr) Monoclinic Gurvich,1996a pt1 p301 pt2 p244.
1 tpis96 IN 1.00I 3.00 0.00 0.00 0.00 1 495.5314100 -224000.000
296.000 480.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 29888.000
-1.888265213D+03 0.000000000D+00 1.096468704D+01 4.804492387D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.042985260D+04-3.708283570D+01
InI3(L) Liquid Gurvich,1996a pt1 p301 pt2 p244.
1 tpis96 IN 1.00I 3.00 0.00 0.00 0.00 2 495.5314100 -224000.000
480.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 29888.000
0.000000000D+00 0.000000000D+00 1.652532741D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.031892811D+04-6.447232654D+01
In2O3(cr) Cubic. Gurvich,1996a pt1 p267 pt2 p214.
2 tpis96 IN 2.00O 3.00 0.00 0.00 0.00 1 277.6342000 -923000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16600.000
-9.503707350D+06 1.770907496D+05-1.344503703D+03 5.391303710D+00-1.171772659D-02
1.329195789D-05-6.163943540D-09 -9.104733670D+05 7.021339210D+03
500.000 2186.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16600.000
-2.719943809D+05 0.000000000D+00 1.461433085D+01 1.210173540D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.163340719D+05-7.291389772D+01
In2O3(L) Liquid. Gurvich,1996a pt1 p267 pt2 p214.
1 tpis96 IN 2.00O 3.00 0.00 0.00 0.00 2 277.6342000 -923000.000
2186.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16600.000
0.000000000D+00 0.000000000D+00 1.924346714D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.108089477D+05-1.000602622D+02
K(cr) Cubic. Ref-Elm. Cox,1989 p257.
1 coda89 K 1.00 0.00 0.00 0.00 0.00 1 39.0983000 0.000
200.000 336.8607 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7088.000
-1.022031747D+05 0.000000000D+00 1.333752016D+01-5.580990750D-02 9.013009100D-05
0.000000000D+00 0.000000000D+00 -2.635062430D+03-5.615376520D+01
K(L) Liquid. Ref-Elm. Cox,1989 p257.
1 coda89 K 1.00 0.00 0.00 0.00 0.00 2 39.0983000 0.000
336.860 2200.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7088.000
-3.935722030D+03-4.547278110D+01 4.845244000D+00-3.083546588D-03 2.015548866D-06
-3.706172930D-11 5.032895480D-15 -8.075609680D+02-1.836641748D+01
KALO2(II) Cubic Gurvich,1982 pt1 p416 pt2 p440.
2 tpis82 K 1.00AL 1.00O 2.00 0.00 0.00 1 98.0786380 -1130600.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13355.000
-4.112581400D+06 7.776836810D+04-5.971614160D+02 2.439288137D+00-5.340052400D-03
6.098541950D-06-2.843205389D-09 -4.867714660D+05 3.112191530D+03
500.000 810.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13355.000
-1.565945988D+05 0.000000000D+00 9.609859180D+00 4.379778490D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.395641536D+05-4.665045360D+01
KALO2(I) Cubic Gurvich,1982 pt1 p416 pt2 p440.
1 tpis82 K 1.00AL 1.00O 2.00 0.00 0.00 2 98.0786380 -1130600.000
810.000 1986.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13355.000
8.202527870D+05 0.000000000D+00 7.962706161D+00 3.725414967D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.366535595D+05-3.415265795D+01
KALO2(L) Liquid. Gurvich,1982 pt1 p416 pt2 p440.
1 tpis82 K 1.00AL 1.00O 2.00 0.00 0.00 3 98.0786380 -1130600.000
1986.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13355.000
0.000000000D+00 0.000000000D+00 1.563531705D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.350952219D+05-8.015693620D+01
KBO2(cr) Hexagonal. Gurvich,1982 pt1 p414 pt2 p438.
2 tpis82 K 1.00B 1.00O 2.00 0.00 0.00 1 81.9081000 -983000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12114.000
-1.601790683D+07 2.997219831D+05-2.274223151D+03 9.014942220D+00-1.951702277D-02
2.207384968D-05-1.021270864D-08 -1.468642542D+06 1.188723021D+04
500.000 1220.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12114.000
-2.328709444D+05 0.000000000D+00 9.862977090D+00 2.740064145D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.220704116D+05-4.870043770D+01
KBO2(L) Liquid. Gurvich,1982 pt1 p414 pt2 p438.
1 tpis82 K 1.00B 1.00O 2.00 0.00 0.00 2 81.9081000 -983000.000
1220.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12114.000
0.000000000D+00 0.000000000D+00 1.743939210D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.250545034D+05-9.581938648D+01
KBr(cr) Cubic. Gurvich,1982 pt1 p394 pt2 p422.
2 tpis82 K 1.00BR 1.00 0.00 0.00 0.00 1 119.0023000 -393450.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12210.000
5.931068110D+06-1.101548735D+05 8.346526100D+02-3.241060370D+00 6.976184850D-03
-7.847251340D-06 3.614707700D-09 4.475606580D+05-4.361638690D+03
500.000 1007.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12210.000
3.145485337D+04 0.000000000D+00 5.199966220D+00 2.540382104D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.887872000D+04-1.867132005D+01
KBr(L) Liquid. Gurvich,1982 pt1 p394 pt2 p422.
1 tpis82 K 1.00BR 1.00 0.00 0.00 0.00 2 119.0023000 -393450.000
1007.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12210.000
0.000000000D+00 0.000000000D+00 8.358881040D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.773361440D+04-3.492371367D+01
KCN(II) Chase,1998 pp617-9.
2 j 3/66 K 1.00C 1.00N 1.00 0.00 0.00 1 65.1157000 -113470.000
168.300 400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17343.000
4.789226660D+04-6.869399420D+02 1.189656301D+01-9.957932230D-03 9.253758250D-06
0.000000000D+00 0.000000000D+00 -1.275880363D+04-5.189047360D+01
400.000 895.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17343.000
-8.550726080D+04 7.115109180D+02 5.642442360D+00 3.733592200D-03-2.880609857D-06
8.848387980D-10 0.000000000D+00 -1.981154134D+04-1.586461470D+01
KCN(L) Chase,1998 pp617-9.
1 j 3/66 K 1.00C 1.00N 1.00 0.00 0.00 2 65.1157000 -113470.000
895.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17343.000
0.000000000D+00 0.000000000D+00 9.057899984D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.522666331D+04-3.545330543D+01
KCL(cr) Cubic. Gurvich,1982 pt1 p390 pt2 p419.
2 tpis82 K 1.00CL 1.00 0.00 0.00 0.00 1 74.5513000 -436490.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11370.000
1.179895024D+06-2.217824961D+04 1.730930630D+02-6.545434150D-01 1.415897824D-03
-1.598259237D-06 7.387534150D-10 4.560782730D+04-8.991527150D+02
500.000 1044.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11370.000
2.888789664D+02 0.000000000D+00 5.287088550D+00 4.004092160D-03-4.343449010D-06
2.753186288D-09 0.000000000D+00 -5.421785640D+04-2.121648362D+01
KCL(L) Liquid. Gurvich,1982 pt1 p390 pt2 p419.
1 tpis82 K 1.00CL 1.00 0.00 0.00 0.00 2 74.5513000 -436490.000
1044.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11370.000
0.000000000D+00 0.000000000D+00 8.659560215D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.322113230D+04-3.876839685D+01
KF(cr) Cubic. Gurvich,1982 pt1 p387 pt2 p416.
2 tpis82 K 1.00F 1.00 0.00 0.00 0.00 1 58.0967032 -569900.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10000.000
-2.920039956D+06 5.319604560D+04-3.910182930D+02 1.542524798D+00-3.296460120D-03
3.692487030D-06-1.695192481D-09 -3.107774664D+05 2.055199175D+03
500.000 1131.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10000.000
-3.379466710D+04 0.000000000D+00 5.806099490D+00 1.562870483D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.045670350D+04-2.573881635D+01
KF(L) Liquid. Gurvich,1982 pt1 p387 pt2 p416.
1 tpis82 K 1.00F 1.00 0.00 0.00 0.00 2 58.0967032 -569900.000
1131.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10000.000
0.000000000D+00 0.000000000D+00 8.455098376D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.905565270D+04-3.960518579D+01
KH(cr) Cubic. Gurvich,1982 pt1 p381 pt2 p411.
1 tpis82 K 1.00H 1.00 0.00 0.00 0.00 1 40.1062400 -57820.000
298.150 892.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7800.000
-6.457385920D+04 0.000000000D+00 4.092965190D+00 3.996988400D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.568660280D+03-1.870503989D+01
KH(L) Liquid. Gurvich,1982 pt1 p381 pt2 p411.
1 tpis82 K 1.00H 1.00 0.00 0.00 0.00 2 40.1062400 -57820.000
892.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7800.000
0.000000000D+00 0.000000000D+00 6.735213500D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.737318610D+03-3.021766413D+01
K(HF2)(a) Alpha. Chase,1998 pp1104-6.
1 j 6/71 K 1.00H 1.00F 2.00 0.00 0.00 1 78.1030464 -931232.880
200.000 469.8507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15294.000
2.015718998D+03-3.533789190D+02 8.928247670D+00 2.814397451D-03 7.299809050D-06
0.000000000D+00 0.000000000D+00 -1.128323001D+05-4.066701520D+01
K(HF2)(b) Beta. Chase,1998 pp1104-6.
1 j 6/71 K 1.00H 1.00F 2.00 0.00 0.00 2 78.1030464 -931232.880
469.850 511.9507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15294.000
0.000000000D+00 0.000000000D+00 1.205711461D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.145682138D+05-5.416912090D+01
K(HF2)(L) Liquid. Chase,1998 pp1104-6.
1 j 6/71 K 1.00H 1.00F 2.00 0.00 0.00 3 78.1030464 -931232.880
511.950 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15294.000
0.000000000D+00 0.000000000D+00 1.258041665D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.140400401D+05-5.587860571D+01
KI(cr) Cubic. Gurvich,1982 pt1 p398 pt2 p425.
2 tpis82 K 1.00I 1.00 0.00 0.00 0.00 1 166.0027700 -329300.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12700.000
3.849118670D+06-7.198411950D+04 5.507582640D+02-2.141022674D+00 4.628312070D-03
-5.222322770D-06 2.411694600D-09 2.826852967D+05-2.871024327D+03
500.000 954.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12700.000
2.770577458D+04 0.000000000D+00 5.235901210D+00 2.694044229D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.119339520D+04-1.772462446D+01
KI(L) Liquid. Gurvich,1982 pt1 p398 pt2 p425.
1 tpis82 K 1.00I 1.00 0.00 0.00 0.00 2 166.0027700 -329300.000
954.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12700.000
0.000000000D+00 0.000000000D+00 8.455098376D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.017867910D+04-3.422733253D+01
KNO2(II) Hexagonal. Gurvich,1982 pt1 p404 pt2 p430.
1 tpis82 K 1.00N 1.00O 2.00 0.00 0.00 1 85.1038000 -365900.000
200.000 314.7007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22940.000
-1.228297484D+07 0.000000000D+00 1.182559906D+03-6.076842320D+00 8.778424840D-03
0.000000000D+00 0.000000000D+00 -2.452424942D+05-5.366905900D+03
KNO2(I) Cubic. Gurvich,1982 pt1 p404 pt2 p430.
1 tpis82 K 1.00N 1.00O 2.00 0.00 0.00 2 85.1038000 -365900.000
314.700 711.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22940.000
0.000000000D+00 0.000000000D+00 9.827879214D+00 2.012866663D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.687774970D+04-3.782318671D+01
KNO2(L) Liquid. Gurvich,1982 pt1 p404 pt2 p430.
1 tpis82 K 1.00N 1.00O 2.00 0.00 0.00 3 85.1038000 -365900.000
711.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22940.000
0.000000000D+00 0.000000000D+00 1.226771030D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.609515960D+04-4.958866367D+01
KNO3(a) Rhombic. Gurvich,1982 pt1 p407 pt2 p432.
1 tpis82 K 1.00N 1.00O 3.00 0.00 0.00 1 101.1032000 -494000.000
200.000 402.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18750.000
3.565624070D+06-6.291319380D+04 4.392599940D+02-1.436497824D+00 2.380417773D-03
-1.518208824D-06 0.000000000D+00 2.258505778D+05-2.341795728D+03
KNO3(b) Hexagonal. Gurvich,1982 pt1 p407 pt2 p432.
1 tpis82 K 1.00N 1.00O 3.00 0.00 0.00 2 101.1032000 -494000.000
402.000 607.7007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18750.000
3.211975210D+06 0.000000000D+00-5.032659772D+01 1.462070525D-01-8.159374395D-05
0.000000000D+00 0.000000000D+00 -3.934846620D+04 2.807123740D+02
KNO3(L) Liquid. Gurvich,1982 pt1 p407 pt2 p432.
1 tpis82 K 1.00N 1.00O 3.00 0.00 0.00 3 101.1032000 -494000.000
607.700 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18750.000
0.000000000D+00 0.000000000D+00 1.695830542D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.345106350D+04-7.918784042D+01
KOH(a) Alpha,beta. Gurvich,1997 p1031.
1 g 8/97 K 1.00O 1.00H 1.00 0.00 0.00 1 56.1056400 -423400.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12600.000
-4.380064620D+05 1.125472885D+04-1.023623342D+02 4.375630440D-01-5.920346390D-04
0.000000000D+00 0.000000000D+00 -1.002155756D+05 5.241308280D+02
KOH(b) Beta. Gurvich,1997 p1031.
1 g 8/97 K 1.00O 1.00H 1.00 0.00 0.00 2 56.1056400 -423400.000
298.150 517.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12600.000
-2.814357070D+03 0.000000000D+00 6.478313214D+00 6.183767895D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.313882160D+04-2.899826328D+01
KOH(c) Gamma. Gurvich,1997 p1031.
1 g 8/97 K 1.00O 1.00H 1.00 0.00 0.00 3 56.1056400 -423400.000
517.000 679.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12600.000
0.000000000D+00 0.000000000D+00 9.621733572D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.325857830D+04-4.413346659D+01
KOH(L) Liquid. Gurvich,1997 p1031.
1 g 8/97 K 1.00O 1.00H 1.00 0.00 0.00 4 56.1056400 -423400.000
679.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12600.000
0.000000000D+00 0.000000000D+00 1.046363526D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.288008340D+04-4.822385687D+01
KO2(b) Tetragonal. Gurvich,1982 pt1 p375 pt2 p405.
1 tpis82 K 1.00O 2.00 0.00 0.00 0.00 1 71.0971000 -283600.000
200.000 422.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16820.000
5.149174260D+06-7.614604350D+04 4.537181540D+02-1.295601160D+00 1.892822220D-03
-1.090404806D-06 0.000000000D+00 3.247518810D+05-2.484666478D+03
KO2(a) Cubic. Gurvich,1982 pt1 p375 pt2 p405.
1 tpis82 K 1.00O 2.00 0.00 0.00 0.00 2 71.0971000 -283600.000
422.000 808.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16820.000
0.000000000D+00 0.000000000D+00 1.058390693D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.734259730D+04-4.545206851D+01
KO2(L) Liquid. Gurvich,1982 pt1 p375 pt2 p405.
1 tpis82 K 1.00O 2.00 0.00 0.00 0.00 3 71.0971000 -283600.000
808.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16820.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.603115500D+04-5.204773022D+01
K2CO3(a) Monoclinic. Gurvich,1982 pt1 p410 pt2 p434.
1 tpis82 K 2.00C 1.00O 3.00 0.00 0.00 1 138.2055000 -1151500.000
200.000 693.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22665.000
-3.632826430D+05 5.957567840D+03-3.080710797D+01 1.494558714D-01-2.377158989D-04
2.231711601D-07-8.466662880D-11 -1.694136603D+05 1.763682121D+02
K2CO3(b) Hexagonal. Gurvich,1982 pt1 p410 pt2 p434.
1 tpis82 K 2.00C 1.00O 3.00 0.00 0.00 2 138.2055000 -1151500.000
693.000 1173.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22665.000
0.000000000D+00 0.000000000D+00 1.310023080D+01 8.280944999D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.424065852D+05-5.805609552D+01
K2CO3(L) Liquid. Gurvich,1982 pt1 p410 pt2 p434.
1 tpis82 K 2.00C 1.00O 3.00 0.00 0.00 3 138.2055000 -1151500.000
1173.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22665.000
0.000000000D+00 0.000000000D+00 2.471582811D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.466663988D+05-1.273064200D+02
K2O(c) III Cubic. Gurvich,1982 pt1 p377 pt2 p406.
1 tpis82 K 2.00O 1.00 0.00 0.00 0.00 1 94.1960000 -361700.000
298.150 590.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13700.000
0.000000000D+00 0.000000000D+00 6.140710637D+00 8.448122619D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.570860710D+04-2.596002023D+01
K2O(b) II Cubic. Gurvich,1982 pt1 p377 pt2 p406.
1 tpis82 K 2.00O 1.00 0.00 0.00 0.00 2 94.1960000 -361700.000
590.000 645.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13700.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.762703040D+04-5.838924536D+01
K2O(a) I Tetragonal. Gurvich,1982 pt1 p377 pt2 p406.
1 tpis82 K 2.00O 1.00 0.00 0.00 0.00 3 94.1960000 -361700.000
645.000 1013.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13700.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.714594370D+04-5.764337454D+01
K2O(L) Liquid. Gurvich,1982 pt1 p377 pt2 p406.
1 tpis82 K 2.00O 1.00 0.00 0.00 0.00 4 94.1960000 -361700.000
1013.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13700.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.389860860D+04-5.443771306D+01
K2O2(cr) Rhombic. Gurvich,1982 pt1 p379 pt2 p409.
1 tpis82 K 2.00O 2.00 0.00 0.00 0.00 1 110.1954000 -443000.000
298.150 818.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17000.000
0.000000000D+00 0.000000000D+00 9.151230800D+00 6.015267286D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.627614800D+04-3.986168914D+01
K2O2(L) Liquid. Gurvich,1982 pt1 p379 pt2 p409.
1 tpis82 K 2.00O 2.00 0.00 0.00 0.00 2 110.1954000 -443000.000
818.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17000.000
0.000000000D+00 0.000000000D+00 1.611640373D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.749561030D+04-7.864151320D+01
K2S(cr) Below lambda. Chase,1998 pp1486-8.
2 j 3/78 K 2.00S 1.00 0.00 0.00 0.00 1 110.2616000 -376560.000
298.150 600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
4.724669150D+04-4.465995260D+02 9.600035840D+00 7.836273870D-04 1.295338974D-06
0.000000000D+00 0.000000000D+00 -4.549501380D+04-4.238203950D+01
600.000 1050.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
1.237549376D+09-7.863379810D+06 1.968151557D+04-2.415909047D+01 1.451020806D-02
-3.388041040D-06 0.000000000D+00 4.392639800D+07-1.251401185D+05
K2S(cr) Above lambda. Chase,1998 pp1486-8.
2 j 3/78 K 2.00S 1.00 0.00 0.00 0.00 2 110.2616000 -376560.000
1050.000 1100.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 1.564212060D+02-1.266383838D-01 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.311392922D+05-9.279088390D+02
1100.000 1221.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 1.711898382D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.452307000D+04-9.166848070D+01
K2S(L) Chase,1998 pp1486-8.
1 j 3/78 K 2.00S 1.00 0.00 0.00 0.00 3 110.2616000 -376560.000
1221.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 1.214261815D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.650451120D+04-5.470849197D+01
K2SO4(II) Rhombic. Gurvich,1982 pt1 p402 pt2 p428.
2 tpis82 K 2.00S 1.00O 4.00 0.00 0.00 1 174.2592000 -1437700.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25435.000
7.718871240D+06-1.416712413D+05 1.060181562D+03-4.031007910D+00 8.614683760D-03
-9.611228510D-06 4.397898620D-09 4.640403120D+05-5.555950140D+03
500.000 857.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25435.000
-4.858415070D+04 0.000000000D+00 1.165680854D+01 1.576835485D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.772539211D+05-5.027549500D+01
K2SO4(I) Hexagonal. Gurvich,1982 pt1 p402 pt2 p428.
1 tpis82 K 2.00S 1.00O 4.00 0.00 0.00 2 174.2592000 -1437700.000
857.000 1342.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25435.000
1.683008379D+07 0.000000000D+00-3.453625048D+01 4.086410384D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.262250083D+05 2.527928284D+02
K2SO4(L) Liquid. Gurvich,1982 pt1 p402 pt2 p428.
1 tpis82 K 2.00S 1.00O 4.00 0.00 0.00 3 174.2592000 -1437700.000
1342.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25435.000
0.000000000D+00 0.000000000D+00 2.405433393D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.762313671D+05-1.157513010D+02
K2SiO3(cr) Rhombic. Gurvich,1982 pt1 p412 pt2 p436.
2 tpis82 K 2.00SI 1.00O 3.00 0.00 0.00 1 154.2803000 -1543000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21860.000
2.855673428D+06-5.059971270D+04 3.647712840D+02-1.277216470D+00 2.614874944D-03
-2.812883261D-06 1.248415754D-09 4.217450990D+04-1.927446205D+03
500.000 1249.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21860.000
-1.541934726D+05 0.000000000D+00 1.400996506D+01 6.254878280D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.905514472D+05-6.499565930D+01
K2SiO3(L) Liquid. Gurvich,1982 pt1 p412 pt2 p436.
1 tpis82 K 2.00SI 1.00O 3.00 0.00 0.00 2 154.2803000 -1543000.000
1249.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21860.000
0.000000000D+00 0.000000000D+00 2.285161723D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.941869756D+05-1.182498589D+02
K2Si2O5(a) III. Gurvich,1982 pt1 p413 pt2 p437.
1 tpis82 K 2.00SI 2.00O 5.00 0.00 0.00 1 214.3646000 -2505000.000
200.000 510.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 28820.000
-1.332332468D+07 2.509615155D+05-1.911732601D+03 7.658564980D+00-1.652056677D-02
1.854450564D-05-8.489711240D-09 -1.432942804D+06 9.985815260D+03
K2Si2O5(b) II. Gurvich,1982 pt1 p413 pt2 p437.
1 tpis82 K 2.00SI 2.00O 5.00 0.00 0.00 2 214.3646000 -2505000.000
510.000 867.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 28820.000
-1.201153165D+05 0.000000000D+00 1.900352516D+01 1.092379467D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.078422822D+05-8.941094441D+01
K2Si2O5(c) I. Gurvich,1982 pt1 p413 pt2 p437.
1 tpis82 K 2.00SI 2.00O 5.00 0.00 0.00 3 214.3646000 -2505000.000
867.000 1318.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 28820.000
0.000000000D+00 0.000000000D+00 2.696791513D+01 5.313602365D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.105104930D+05-1.339782607D+02
K2Si2O5(L) Gurvich,1982 pt1 p413 pt2 p437.
1 tpis82 K 2.00SI 2.00O 5.00 0.00 0.00 4 214.3646000 -2505000.000
1318.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 28820.000
0.000000000D+00 0.000000000D+00 3.307470915D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.138641654D+05-1.739362353D+02
K3ALF6(II) Tetragonal. Gurvich,1982 pt1 p418 pt2 p442.
1 tpis82 K 3.00AL 1.00F 6.00 0.00 0.00 1 258.2668572 -3347000.000
298.150 600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 42600.000
0.000000000D+00 0.000000000D+00 1.838593014D+01 2.828982105D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.092884330D+05-7.891279947D+01
K3ALF6(I) Cubic. Gurvich,1982 pt1 p418 pt2 p442.
1 tpis82 K 3.00AL 1.00F 6.00 0.00 0.00 2 258.2668572 -3347000.000
600.000 1273.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 42600.000
0.000000000D+00 0.000000000D+00 2.893014742D+01 6.707551016D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.109483890D+05-1.321111106D+02
K3ALF6(L) Liquid. Gurvich,1982 pt1 p418 pt2 p442.
1 tpis82 K 3.00AL 1.00F 6.00 0.00 0.00 3 258.2668572 -3347000.000
1273.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 42600.000
0.000000000D+00 0.000000000D+00 4.726676617D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.141107070D+05-2.430801826D+02
Li(cr) Crystal. Ref-Elm. Gurvich,1982 pt1 p245 pt2 p286.
2 tpis82 LI 1.00 0.00 0.00 0.00 0.00 1 6.9410000 0.000
200.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4632.000
-9.860652350D+03 0.000000000D+00 2.304323850D+00 2.671663720D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.388536120D+02-1.047881686D+01
298.150 453.6907 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4632.000
7.238824960D+04 0.000000000D+00 1.570314469D-01 6.770404110D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.049497436D+02 9.961763140D-01
Li(L) Liquid. Ref-Elm. Gurvich,1982 pt1 p245 pt2 p286.
1 tpis82 LI 1.00 0.00 0.00 0.00 0.00 2 6.9410000 0.000
453.690 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4632.000
2.465569228D+04 0.000000000D+00 3.755723428D+00-6.332303407D-04 3.160739478D-07
0.000000000D+00 0.000000000D+00 -7.299116690D+02-1.701274654D+01
LiALO2(cr) Chase,1998 pp126-8.
2 j12/79 LI 1.00AL 1.00O 2.00 0.00 0.00 1 65.9213380 -1188674.400
200.000 700.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9694.328
-2.403553110D+06 4.191135380D+04-2.947543676D+02 1.096024513D+00-2.070932308D-03
1.989368601D-06-7.643124070D-10 -3.359272460D+05 1.562056779D+03
700.000 1973.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9694.328
-1.440922218D+06 5.833386140D+03-1.030268470D+00 1.461691077D-02-7.831786240D-06
2.428705700D-09-3.067767899D-13 -1.811607791D+05 2.012864902D+01
LiALO2(L) Chase,1998 pp126-8.
1 j12/79 LI 1.00AL 1.00O 2.00 0.00 0.00 2 65.9213380 -1188674.400
1973.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9694.328
0.000000000D+00 0.000000000D+00 1.509649997D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.416553963D+05-8.099434263D+01
LiBO2(cr) Monoclinic. Gurvich,1982 pt1 p298 pt2 p331.
2 tpis82 LI 1.00B 1.00O 2.00 0.00 0.00 1 49.7508000 -1022900.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8880.000
-1.298972763D+02 2.476112547D+03-4.025475640D+01 2.755313951D-01-7.202835830D-04
9.355885600D-07-4.776147920D-10 -1.326385762D+05 1.863684915D+02
500.000 1122.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8880.000
-1.501059611D+05 0.000000000D+00 7.094387770D+00 5.990864950D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.259108022D+05-3.688511780D+01
LiBO2(L) Liquid. Gurvich,1982 pt1 p298 pt2 p331.
1 tpis82 LI 1.00B 1.00O 2.00 0.00 0.00 2 49.7508000 -1022900.000
1122.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8880.000
0.000000000D+00 0.000000000D+00 1.736722910D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.294550343D+05-9.861468152D+01
LiBr(cr) Cubic. Gurvich,1982 pt1 p284 pt2 p317.
2 tpis82 LI 1.00BR 1.00 0.00 0.00 0.00 1 86.8450000 -351160.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10476.000
3.743262690D+06-7.020131930D+04 5.366833500D+02-2.085864954D+00 4.508762520D-03
-5.086004120D-06 2.348146084D-09 2.721051038D+05-2.801510974D+03
500.000 823.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10476.000
1.459008908D+04 0.000000000D+00 4.895008630D+00 3.134322823D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.378446420D+04-1.984092688D+01
LiBr(L) Liquid. Gurvich,1982 pt1 p284 pt2 p317.
1 tpis82 LI 1.00BR 1.00 0.00 0.00 0.00 2 86.8450000 -351160.000
823.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10476.000
0.000000000D+00 0.000000000D+00 7.853740028D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.305174650D+04-3.455318466D+01
LiCL(cr) Cubic. Gurvich,1982 pt1 p279 pt2 p313.
2 tpis82 LI 1.00CL 1.00 0.00 0.00 0.00 1 42.3940000 -408540.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9300.000
-2.180497685D+06 3.971320780D+04-2.918258028D+02 1.160079971D+00-2.482284097D-03
2.785692272D-06-1.280897066D-09 -2.302427379D+05 1.533139994D+03
500.000 883.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9300.000
-3.595609330D+04 0.000000000D+00 5.480770500D+00 2.332209108D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.099411730D+04-2.499631307D+01
LiCL(L) Liquid. Gurvich,1982 pt1 p279 pt2 p313.
1 tpis82 LI 1.00CL 1.00 0.00 0.00 0.00 2 42.3940000 -408540.000
883.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9300.000
0.000000000D+00 0.000000000D+00 7.601169522D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.954114490D+04-3.460716245D+01
LiF(cr) Cubic. Gurvich,1982 pt1 p273 pt2 p309.
2 tpis82 LI 1.00F 1.00 0.00 0.00 0.00 1 25.9394032 -618300.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6473.000
9.636751230D+05-1.777983613D+04 1.305502564D+02-4.624287950D-01 9.558363610D-04
-1.037162482D-06 4.637142460D-10 5.186488570D+03-6.901111630D+02
500.000 1122.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6473.000
-7.420484740D+04 0.000000000D+00 5.359396170D+00 1.623955670D-03 2.090115068D-07
0.000000000D+00 0.000000000D+00 -7.628479220D+04-2.715764184D+01
LiF(L) Liquid. Gurvich,1982 pt1 p273 pt2 p309.
1 tpis82 LI 1.00F 1.00 0.00 0.00 0.00 2 25.9394032 -618300.000
1122.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6473.000
0.000000000D+00 0.000000000D+00 7.673332524D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.443734250D+04-3.852218670D+01
LiH(cr) Cubic. Gurvich,1982 pt1 p263 pt2 p300.
1 tpis82 LI 1.00H 1.00 0.00 0.00 0.00 1 7.9489400 -90650.000
200.000 965.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 3883.000
-7.983399540D+03-4.135167420D+02 3.842672410D+00 3.568427660D-03 3.560726720D-07
9.299007330D-10-5.466520940D-13 -9.882374510D+03-2.193513588D+01
LiH(L) Liquid. Gurvich,1982 pt1 p263 pt2 p300.
1 tpis82 LI 1.00H 1.00 0.00 0.00 0.00 2 7.9489400 -90650.000
965.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 3883.000
0.000000000D+00 0.000000000D+00 6.614941831D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.089088820D+04-3.406734782D+01
LiI(cr) Cubic. Gurvich,1982 pt1 p287 pt2 p321.
2 tpis82 LI 1.00I 1.00 0.00 0.00 0.00 1 133.8454700 -273200.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11360.000
-6.958662980D+04 4.035715450D+02 7.056546540D+00-1.824255625D-02 6.907245220D-05
-9.841303530D-08 5.297565590D-11 -3.712485890D+04-2.568066591D+01
500.000 742.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11360.000
0.000000000D+00 0.000000000D+00 5.248298340D+00 2.986457552D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.455573620D+04-2.036433073D+01
LiI(L) Liquid. Gurvich,1982 pt1 p287 pt2 p321.
1 tpis82 LI 1.00I 1.00 0.00 0.00 0.00 2 133.8454700 -273200.000
742.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11360.000
0.000000000D+00 0.000000000D+00 7.601169522D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.371867140D+04-3.132631144D+01
LiNO2(II) Crystal. Gurvich,1982 pt1 p292 pt2 p326.
1 tpis82 LI 1.00N 1.00O 2.00 0.00 0.00 1 52.9465000 -368300.000
298.150 369.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12100.000
0.000000000D+00 0.000000000D+00-1.026999787D+00 2.885846550D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.527251980D+04 7.831186054D+00
LiNO2(I) Hexagonal. Gurvich,1982 pt1 p292 pt2 p326.
1 tpis82 LI 1.00N 1.00O 2.00 0.00 0.00 2 52.9465000 -368300.000
369.000 495.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12100.000
0.000000000D+00 0.000000000D+00 9.621733572D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.703274180D+04-4.390844045D+01
LiNO2(L) Liquid. Gurvich,1982 pt1 p292 pt2 p326.
1 tpis82 LI 1.00N 1.00O 2.00 0.00 0.00 3 52.9465000 -368300.000
495.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12100.000
0.000000000D+00 0.000000000D+00 1.082445027D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.652158720D+04-4.913541343D+01
LiNO3(cr) Hexagonal. Gurvich,1982 pt1 p294 pt2 p328.
1 tpis82 LI 1.00N 1.00O 3.00 0.00 0.00 1 68.9459000 -482700.000
298.150 526.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12800.000
0.000000000D+00 0.000000000D+00 1.052906305D+01-9.448181552D-03 3.365959028D-05
0.000000000D+00 0.000000000D+00 -6.107180100D+04-4.616118415D+01
LiNO3(L) Liquid. Gurvich,1982 pt1 p294 pt2 p328.
1 tpis82 LI 1.00N 1.00O 3.00 0.00 0.00 2 68.9459000 -482700.000
525.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12800.000
0.000000000D+00 0.000000000D+00 1.792047878D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.162709200D+04-8.706763908D+01
LiOH(cr) Tetragonal. Gurvich,1996b.
1 g 9/99 LI 1.00O 1.00H 1.00 0.00 0.00 1 23.9483400 -487500.000
200.000 746.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7414.000
-1.219596094D+06 2.088315832D+04-1.463475951D+02 5.611592820D-01-1.084380003D-03
1.071790003D-06-4.218924790D-10 -1.553535026D+05 7.744131680D+02
LiOH(L) Liquid. Gurvich,1996b.
1 g 9/99 LI 1.00O 1.00H 1.00 0.00 0.00 2 23.9483400 -487500.000
746.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7414.000
0.000000000D+00 0.000000000D+00 1.049971676D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.050280710D+04-5.407387960D+01
Li2CO3(cr) Monoclinic. Gurvich,1982 pt1 p297 pt2 p330.
2 tpis82 LI 2.00C 1.00O 3.00 0.00 0.00 1 73.8909000 -1214100.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15180.000
1.989594337D+07-3.631706770D+05 2.691242782D+03-1.033109020D+01 2.201400812D-02
-2.454585112D-05 1.122641035D-08 1.495415902D+06-1.413251128D+04
500.000 1005.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15180.000
-5.276502280D+04 0.000000000D+00 7.025051540D+00 1.809479379D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.490977245D+05-3.487871400D+01
Li2CO3(L) Liquid. Gurvich,1982 pt1 p297 pt2 p330.
1 tpis82 LI 2.00C 1.00O 3.00 0.00 0.00 2 73.8909000 -1214100.000
1005.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15180.000
0.000000000D+00 0.000000000D+00 2.225025888D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.502292112D+05-1.169607936D+02
Li2O(cr) Cubic. Gurvich,1982 pt1 p257 pt2 p295.
2 tpis82 LI 2.00O 1.00 0.00 0.00 0.00 1 29.8814000 -597880.000
200.000 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7251.000
3.028110639D+05-4.262752720D+03 1.838105970D+01 8.164277890D-03-6.056855750D-05
8.533995130D-08-3.737236310D-11 -5.206402060D+04-1.132207799D+02
800.000 1726.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7251.000
-5.016824310D+06 2.420062743D+04-4.101266390D+01 5.324367340D-02-2.998210001D-05
1.063865942D-08-1.399118443D-12 -2.158188563D+05 2.784406390D+02
Li2O(L) Liquid. Gurvich,1982 pt1 p257 pt2 p295.
1 tpis82 LI 2.00O 1.00 0.00 0.00 0.00 2 29.8814000 -597880.000
1726.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7251.000
0.000000000D+00 0.000000000D+00 1.250825364D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.338860760D+04-6.881025076D+01
Li2O2(cr) Hexagonal. Gurvich,1982 pt1 p261 pt2 p298.
1 tpis82 LI 2.00O 2.00 0.00 0.00 0.00 1 45.8808000 -632500.000
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10500.000
0.000000000D+00 0.000000000D+00 6.874488094D+00 7.197297255D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.844135590D+04-3.433817812D+01
Li2SO4(a) Alpha. Gurvich,1982 pt1 p291 pt2 p325.
2 tpis82 LI 2.00S 1.00O 4.00 0.00 0.00 1 109.9446000 -1436000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18631.000
2.307314336D+07-4.440850530D+05 3.473570360D+03-1.406997202D+01 3.151077609D-02
-3.672532150D-05 1.742494307D-08 1.810572013D+06-1.805254507D+04
500.000 848.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18631.000
1.379684430D+06 0.000000000D+00-7.865353280D+01 4.280849920D-01-6.782300830D-04
3.795553140D-07 0.000000000D+00 -1.584238676D+05 3.687429570D+02
Li2SO4(b) Beta. Gurvich,1982 pt1 p291 pt2 p325.
1 tpis82 LI 2.00S 1.00O 4.00 0.00 0.00 2 109.9446000 -1436000.000
848.000 1131.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18631.000
0.000000000D+00 0.000000000D+00 2.621922398D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.809832398D+05-1.396630415D+02
Li2SO4(L) Liquid. Gurvich,1982 pt1 p291 pt2 p325.
1 tpis82 LI 2.00S 1.00O 4.00 0.00 0.00 3 109.9446000 -1436000.000
1131.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18631.000
0.000000000D+00 0.000000000D+00 2.465569228D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.780963589D+05-1.276811017D+02
Li3ALF6(IV) Rhombic. Gurvich,1982 pt1 p301 pt2 p334.
2 tpis82 LI 3.00AL 1.00F 6.00 0.00 0.00 1 161.7949572 -3389600.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 32150.000
-9.493305210D+05 1.726015181D+04-1.388395633D+02 7.441178510D-01-1.715868367D-03
2.058073373D-06-9.983283300D-10 -4.893133340D+05 7.043980840D+02
500.000 788.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 32150.000
-3.361898910D+05 0.000000000D+00 2.259884943D+01 2.065859808D-02-6.977943650D-06
0.000000000D+00 0.000000000D+00 -4.163946960D+05-1.138999049D+02
Li3ALF6(III) Tetragonal. Gurvich,1982 pt1 p301 pt2 p334.
1 tpis82 LI 3.00AL 1.00F 6.00 0.00 0.00 2 161.7949572 -3389600.000
788.000 873.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 32150.000
0.000000000D+00 0.000000000D+00 3.427742585D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.195341580D+05-1.769490331D+02
Li3ALF6(II) Cubic. Gurvich,1982 pt1 p301 pt2 p334.
1 tpis82 LI 3.00AL 1.00F 6.00 0.00 0.00 3 161.7949572 -3389600.000
873.000 978.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 32150.000
0.000000000D+00 0.000000000D+00 3.548014255D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.202233150D+05-1.846804483D+02
Li3ALF6(I) Crystal. Gurvich,1982 pt1 p301 pt2 p334.
1 tpis82 LI 3.00AL 1.00F 6.00 0.00 0.00 4 161.7949572 -3389600.000
978.000 1058.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 32150.000
0.000000000D+00 0.000000000D+00 3.343552416D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.172975860D+05-1.696552845D+02
Li3ALF6(L) Liquid. Gurvich,1982 pt1 p301 pt2 p334.
1 tpis82 LI 3.00AL 1.00F 6.00 0.00 0.00 5 161.7949572 -3389600.000
1058.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 32150.000
0.000000000D+00 0.000000000D+00 4.642486448D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.204684280D+05-2.501224871D+02
Li3N(cr) Chase,1998 p1526.
2 j 3/78 LI 3.00N 1.00 0.00 0.00 0.00 1 34.8297000 -164557.000
200.000 700.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11213.120
1.373485590D+06-2.379184204D+04 1.591917968D+02-4.823554940D-01 8.557283860D-04
-7.626448860D-07 2.741510774D-10 8.816502990D+04-8.595793090D+02
700.000 1300.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11213.120
-1.241718958D+08 7.830020910D+05-2.032330783D+03 2.815135927D+00-2.148359487D-03
8.689521850D-07-1.452735248D-10 -4.390747670D+06 1.278810396D+04
Mg(cr) Hexagonal. Ref-Elm. Alcock,1993.
2 srd 93 MG 1.00 0.00 0.00 0.00 0.00 1 24.3050000 0.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4979.161
-5.412225134D+03 0.000000000D+00 1.458173723D+00 1.330204666D-02-4.098858502D-05
4.754339101D-08 0.000000000D+00 -7.759472010D+02-6.989702348D+00
298.150 923.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4979.161
-2.860060304D+04 0.000000000D+00 3.398877384D+00-7.243962663D-04 1.405254188D-06
0.000000000D+00 0.000000000D+00 -1.089519906D+03-1.545973664D+01
Mg(L) Liquid. Ref-Elm. Alcock,1993.
1 srd 93 MG 1.00 0.00 0.00 0.00 0.00 2 24.3050000 0.000
923.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4979.161
0.000000000D+00 0.000000000D+00 4.125318269D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.589919480D+02-1.937828582D+01
MgAL2O4(cr) Crystal. Chase,1998 pp147-9.
2 j12/79 MG 1.00AL 2.00O 4.00 0.00 0.00 1 142.2656760 -2299110.000
200.000 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 64479.624
9.746254450D+05-1.525021312D+04 8.302860630D+01-1.382241614D-01 1.657566530D-04
-9.668302460D-08 2.170561037D-11 -2.062543046D+05-4.734083400D+02
800.000 2408.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 64479.624
-7.339625410D+05 1.248275880D+03 1.548493786D+01 6.232746800D-03-9.669121680D-07
2.487422341D-10-2.603898110D-14 -2.909147610D+05-7.914855130D+01
MgAL2O4(L) Liquid. Chase,1998 pp147-9.
1 j12/79 MG 1.00AL 2.00O 4.00 0.00 0.00 2 142.2656760 -2299110.000
2408.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 64479.624
0.000000000D+00 0.000000000D+00 2.641887495D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.688320250D+05-1.419843893D+02
MgBr2(cr) Hexagonal. Gurvich,1996a pt1 p418 pt2 p332.
1 tpis96 MG 1.00BR 2.00 0.00 0.00 0.00 1 184.1130000 -526000.000
298.150 984.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15500.499
-6.657036915D+04 0.000000000D+00 9.124771033D+00 1.443260036D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.627087500D+04-3.872222733D+01
MgBr2(L) Liquid. Gurvich,1996a pt1 p418 pt2 p332.
1 tpis96 MG 1.00BR 2.00 0.00 0.00 0.00 2 184.1130000 -526000.000
984.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15500.499
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.363378060D+04-5.246637684D+01
MgCO3(cr) Hexagonal. Gurvich,1996a pt1 p429 pt2 p341.
2 tpis96 MG 1.00C 1.00O 3.00 0.00 0.00 1 84.3139000 -1096000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11630.499
-5.649471920D+06 1.059809340D+05-8.095953810D+02 3.267992680D+00-7.111639940D-03
8.088247340D-06-3.758639920D-09 -6.098528470D+05 4.221968000D+03
500.000 1263.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11630.499
-1.743337852D+05 0.000000000D+00 8.820122894D+00 7.696184141D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.353742560D+05-4.570039759D+01
MgCO3(L) Liquid. Gurvich,1996a pt1 p429 pt2 p341.
1 tpis96 MG 1.00C 1.00O 3.00 0.00 0.00 3 84.3139000 -1096000.000
1263.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11630.499
0.000000000D+00 0.000000000D+00 1.804075045D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.336474914D+05-9.615384273D+01
MgCL2(cr) Hexagonal. Gurvich,1996a pt1 p413 pt2 p329.
2 tpis96 MG 1.00CL 2.00 0.00 0.00 0.00 1 95.2110000 -644300.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13770.499
3.151271437D+05-4.986561670D+03 3.407490430D+01-6.013327030D-02 7.256223640D-05
-2.984411528D-08-5.064069590D-12 -5.608909370D+04-1.833415814D+02
500.000 987.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13770.499
-7.745495525D+04 0.000000000D+00 9.099153167D+00 1.199709905D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.051706960D+04-4.185795845D+01
MgCL2(L) Liquid. Gurvich,1996a pt1 p413 pt2 p329.
1 tpis96 MG 1.00CL 2.00 0.00 0.00 0.00 3 95.2110000 -644300.000
987.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13770.499
7.120082843D+05 0.000000000D+00 1.060122605D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.543168500D+04-4.537295861D+01
MgF2(cr) Tetragonal. Gurvich,1996a pt1 p410 pt2 p326.
2 tpis96 MG 1.00F 2.00 0.00 0.00 0.00 1 62.3018064 -1124200.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9920.499
-8.758857470D+06 1.630690293D+05-1.234784473D+03 4.913114430D+00-1.064398199D-02
1.204196054D-05-5.572295890D-09 -8.710379520D+05 6.452721700D+03
500.000 1536.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9920.499
-1.863609521D+05 0.000000000D+00 9.358338615D+00 4.871002621D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.386463039D+05-4.763420955D+01
MgF2(L) Liquid. Gurvich,1996a pt1 p410 pt2 p326.
1 tpis96 MG 1.00F 2.00 0.00 0.00 0.00 3 62.3018064 -1124200.000
1536.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9920.499
0.000000000D+00 0.000000000D+00 1.140175428D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.340531621D+05-5.725828106D+01
MgH2(b) Beta,tetragonal. Gurvich,1996a pt1 p402 pt2 p321.
1 tpis96 MG 1.00H 2.00 0.00 0.00 0.00 1 26.3208800 -75700.000
200.000 600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5310.000
4.034912200D+06-6.115400800D+04 3.537084270D+02-9.554057160D-01 1.260522797D-03
-6.389211330D-07 0.000000000D+00 2.799920215D+05-1.959491159D+03
MgH2(L) Liquid. Gurvich,1996a pt1 p402 pt2 p321.
1 tpis96 MG 1.00H 2.00 0.00 0.00 0.00 2 26.3208800 -75700.000
600.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5310.000
0.000000000D+00 0.000000000D+00 9.020375224D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.135051728D+04-4.777194561D+01
MgI2(cr) Hexagonal. Gurvich,1996a pt1 p422 pt2 p335.
1 tpis96 MG 1.00I 2.00 0.00 0.00 0.00 1 278.1139400 -370000.000
298.150 906.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17000.499
0.000000000D+00 0.000000000D+00 8.291528905D+00 2.232723275D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.707187430D+04-3.179107057D+01
MgI2(L) Liquid. Gurvich,1996a pt1 p422 pt2 p335.
1 tpis96 MG 1.00I 2.00 0.00 0.00 0.00 2 278.1139400 -370000.000
906.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17000.499
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.641294920D+04-5.175282479D+01
MgO(cr) Cubic Gurvich,1996a pt1 p397 pt2 p317.
2 tpis96 MG 1.00O 1.00 0.00 0.00 0.00 1 40.3044000 -601600.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5160.499
-8.980784570D+05 1.771245421D+04-1.449325747D+02 6.397591100D-01-1.458346800D-03
1.715467374D-06-8.183482370D-10 -1.516290864D+05 7.439009690D+02
500.000 3100.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5160.499
-1.169521716D+05 0.000000000D+00 5.510366817D+00 1.085932905D-03-4.866191754D-07
1.253230798D-10 0.000000000D+00 -7.443482720D+04-2.911564935D+01
MgO(L) Liquid Gurvich,1996a pt1 p397 pt2 p317.
1 tpis96 MG 1.00O 1.00 0.00 0.00 0.00 3 40.3044000 -601600.000
3100.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5160.499
0.000000000D+00 0.000000000D+00 1.010282025D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.609370840D+04-6.076894048D+01
Mg(OH)2(cr) Hexagonal. Gurvich,1996a pt1 p405 pt2 p323.
2 tpis96 MG 1.00O 2.00H 2.00 0.00 0.00 1 58.3196800 -924350.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11410.000
-6.401451840D+05 8.358139990D+03-3.971145400D+01 1.231927219D-01-9.647800650D-05
0.000000000D+00 0.000000000D+00 -1.537246903D+05 2.258495398D+02
500.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11410.000
-5.543828430D+06 3.700868610D+04-9.088623340D+01 1.431689186D-01-9.513965240D-05
2.532586546D-08 0.000000000D+00 -3.189450890D+05 5.801638270D+02
Mg(OH)2(L) Liquid. Gurvich,1996a pt1 p405 pt2 p323.
1 tpis96 MG 1.00O 2.00H 2.00 0.00 0.00 2 58.3196800 -924350.000
1100.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11410.000
-3.037581289D+05 0.000000000D+00 1.203462381D+01 2.202655358D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.158775486D+05-6.333852645D+01
MgS(cr) Cubic. Gurvich,1996a pt1 p424 pt2 p337.
2 tpis96 MG 1.00S 1.00 0.00 0.00 0.00 1 56.3700000 -348000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8330.499
1.862529340D+06-3.536941040D+04 2.721839670D+02-1.042907730D+00 2.246733361D-03
-2.528313530D-06 1.164923631D-09 1.157121957D+05-1.421776433D+03
500.000 2500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8330.499
-2.774667419D+04 0.000000000D+00 5.477652922D+00 1.053219011D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.362757840D+04-2.562621459D+01
MgS(L) Liquid. Gurvich,1996a pt1 p424 pt2 p337.
1 tpis96 MG 1.00S 1.00 0.00 0.00 0.00 3 56.3700000 -348000.000
2500.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8330.499
0.000000000D+00 0.000000000D+00 8.058201866D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.919942750D+04-4.015043492D+01
MgSO4(II) CrII,rhombic. Gurvich,1996a pt1 p426 pt2 p339.
2 tpis96 MG 1.00S 1.00O 4.00 0.00 0.00 1 120.3676000 -1288800.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15400.499
7.038799190D+06-1.283866938D+05 9.464955820D+02-3.562117130D+00 7.535844540D-03
-8.351428640D-06 3.800035070D-09 4.243566150D+05-4.979377480D+03
500.000 1283.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15400.499
-1.403690656D+05 0.000000000D+00 1.024474082D+01 1.053279147D-02-2.384385851D-06
0.000000000D+00 0.000000000D+00 -1.589785092D+05-5.117735953D+01
MgSO4(I) CrI,rhombic. Gurvich,1996a pt1 p426 pt2 p339.
1 tpis96 MG 1.00S 1.00O 4.00 0.00 0.00 3 120.3676000 -1288800.000
1283.000 1410.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15400.499
0.000000000D+00 0.000000000D+00 1.864210880D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.622917080D+05-9.940197517D+01
MgSO4(L) Liquid. Gurvich,1996a pt1 p426 pt2 p339.
1 tpis96 MG 1.00S 1.00O 4.00 0.00 0.00 4 120.3676000 -1288800.000
1410.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15400.499
0.000000000D+00 0.000000000D+00 1.864210880D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.605357417D+05-9.815660894D+01
MgSiO3(I) Chase,1998 pp1540-2.
1 j12/67 MG 1.00SI 1.00O 3.00 0.00 0.00 1 100.3887000 -1548916.800
200.000 903.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12112.680
6.634624630D+05-1.098828549D+04 6.661582640D+01-1.408979556D-01 2.056144180D-04
-1.506280668D-07 4.456006950D-11 -1.365977193D+05-3.704100780D+02
MgSiO3(II) Chase,1998 pp1540-2.
1 j12/67 MG 1.00SI 1.00O 3.00 0.00 0.00 2 100.3887000 -1548916.800
903.000 1258.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12112.680
0.000000000D+00 0.000000000D+00 1.447351774D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.916168640D+05-7.665690420D+01
MgSiO3(III) Chase,1998 pp1540-2.
1 j12/67 MG 1.00SI 1.00O 3.00 0.00 0.00 3 100.3887000 -1548916.800
1258.000 1850.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12112.680
0.000000000D+00 0.000000000D+00 1.472512607D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.917371327D+05-7.829669776D+01
MgSiO3(L) Chase,1998 pp1540-2.
1 j12/67 MG 1.00SI 1.00O 3.00 0.00 0.00 4 100.3887000 -1548916.800
1850.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12112.680
0.000000000D+00 0.000000000D+00 1.761258330D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.880210286D+05-9.512270574D+01
MgTiO3(cr) Chase,1998 pp1543-5.
2 j 6/67 MG 1.00TI 1.00O 3.00 0.00 0.00 1 120.1702000 -1572556.400
200.000 700.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13556.160
7.429774000D+05-1.292212821D+04 8.410507170D+01-2.098263307D-01 3.615281930D-04
-3.238214780D-07 1.180955355D-10 -1.313766506D+05-4.602729640D+02
700.000 1953.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13556.160
1.601922450D+05-2.633226069D+03 1.883800780D+01-1.678968165D-03 1.139243183D-06
-2.244954628D-10 2.663226969D-14 -1.791724552D+05-1.059181291D+02
MgTiO3(L) Chase,1998 pp1543-5.
1 j 6/67 MG 1.00TI 1.00O 3.00 0.00 0.00 2 120.1702000 -1572556.400
1953.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13556.160
0.000000000D+00 0.000000000D+00 1.962544997D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.909134805D+05-1.065587855D+02
MgTi2O5(cr) Todd,1952. Chase,1998 pp1550-1552 6/67.
2 g11/00 MG 1.00TI 2.00O 5.00 0.00 0.00 1 200.0360000 -2508218.800
200.000 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22438.792
1.244806767D+06-2.122898938D+04 1.352816814D+02-3.207171960D-01 5.056737150D-04
-4.075110600D-07 1.330675670D-10 -2.063427950D+05-7.421883210D+02
800.000 1963.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22438.792
1.206826103D+06-7.504042080D+03 3.472504430D+01-9.398048060D-03 7.725115420D-06
-2.268307646D-09 2.728749772D-13 -2.651238294D+05-1.981547532D+02
MgTi2O5(L) Todd,1952. Chase,1998 pp1550-1552 6/67.
1 g11/00 MG 1.00TI 2.00O 5.00 0.00 0.00 2 200.0360000 -2508218.800
1963.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22438.792
0.000000000D+00 0.000000000D+00 3.140071995D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.039563022D+05-1.685813857D+02
Mg2SiO4(cr) Chase,1998 pp1556-8 12/67.
2 g11/00 MG 2.00SI 1.00O 4.00 0.00 0.00 1 140.6931000 -2177078.400
200.000 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17279.920
9.212035030D+05-1.508156349D+04 9.085102220D+01-1.898897815D-01 2.890690717D-04
-2.266693109D-07 7.230688250D-11 -1.936097830D+05-5.059650070D+02
800.000 2171.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17279.920
3.714548590D+06-2.041518891D+04 5.788009140D+01-3.629874490D-02 2.183358474D-05
-6.504809080D-09 7.908133680D-13 -1.494870518D+05-3.576608370D+02
Mg2SiO4(L) Chase,1998 pp1556-8 12/67
1 g11/00 MG 2.00SI 1.00O 4.00 0.00 0.00 2 140.6931000 -2177078.400
2170.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17279.920
0.000000000D+00 0.000000000D+00 2.465761662D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.669357683D+05-1.346103798D+02
Mg2TiO4(cr) Chase,1998 pp1559-61 6/67.
2 g11/00 MG 2.00TI 1.00O 4.00 0.00 0.00 1 160.4746000 -2164354.400
200.000 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18836.368
9.956749990D+05-1.724659186D+04 1.091877188D+02-2.478088109D-01 3.830393010D-04
-3.022256428D-07 9.684735620D-11 -1.830794683D+05-6.011710070D+02
800.000 2013.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18836.368
3.251168130D+05-3.023737890D+03 2.335313762D+01-5.057540210D-04 2.750958409D-06
-9.172292550D-10 1.089453371D-13 -2.490728250D+05-1.278129303D+02
Mg2TiO4(L) Chase,1998 pp1559-61 6/67.
1 g11/00 MG 2.00TI 1.00O 4.00 0.00 0.00 2 160.4746000 -2164354.400
2013.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18836.368
0.000000000D+00 0.000000000D+00 2.747562995D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.615257868D+05-1.474539637D+02
Mg3N2(cr) Cubic. Gurvich,1996a pt1 p427 pt2 p340.
1 tpis96 MG 3.00N 2.00 0.00 0.00 0.00 1 100.9284000 -461300.000
298.150 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10500.499
-3.313123684D+05 0.000000000D+00 1.448912804D+01 1.035659347D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.095851350D+04-7.450243529D+01
Mn(a) Alpha. Ref-Elm. Chase,1998 pp1571-4.
1 j 9/67 MN 1.00 0.00 0.00 0.00 0.00 1 54.9380490 0.000
200.000 980.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4994.000
-1.984724642D+04 1.808814126D+02 1.038289801D+00 8.813332010D-03-1.298045968D-05
1.118858744D-08-3.673641300D-12 -1.704143022D+03-3.713160980D+00
Mn(b) Beta. Ref-Elm. Chase,1998 pp1571-4.
1 j 9/67 MN 1.00 0.00 0.00 0.00 0.00 2 54.9380490 0.000
980.000 1361.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4994.000
-2.033299729D+08 8.595009270D+05-1.444429639D+03 1.217025958D+00-5.092264580D-04
8.499457640D-08 0.000000000D+00 -5.153128480D+06 9.753553620D+03
Mn(c) Gamma. Ref-Elm. Chase,1998 pp1571-4.
1 j 9/67 MN 1.00 0.00 0.00 0.00 0.00 3 54.9380490 0.000
1361.000 1412.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4994.000
-5.539443490D+06 0.000000000D+00 1.249195042D+01-3.172888290D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.319440868D+04-7.701110710D+01
Mn(d) Delta. Ref-Elm. Chase,1998 pp1571-4.
1 j 9/67 MN 1.00 0.00 0.00 0.00 0.00 4 54.9380490 0.000
1412.000 1519.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4994.000
-4.256613510D+06 0.000000000D+00 1.001289188D+01-1.726727732D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.000110470D+04-6.059129950D+01
Mn(L) Liquid. Ref-Elm. Chase,1998 pp1571-4.
1 j 9/67 MN 1.00 0.00 0.00 0.00 0.00 5 54.9380490 0.000
1519.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4994.000
0.000000000D+00 0.000000000D+00 5.535383324D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.393783130D+02-2.853570386D+01
Mo(cr) Crystal. Ref-Elm. Chase,1998 pp1577-80.
3 j 3/78 MO 1.00 0.00 0.00 0.00 0.00 1 95.9400000 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4585.000
-4.961689320D+04 4.280941190D+02 7.671984690D-01 5.731518250D-03-6.381641180D-06
3.708192420D-09-7.917347080D-13 -3.039584622D+03-1.230467690D+00
1000.000 2200.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4585.000
-3.617592720D+06 1.474639904D+04-2.136672658D+01 2.118577261D-02-9.789741690D-06
2.496130112D-09-2.422303123D-13 -8.977896080D+04 1.507160275D+02
2200.000 2896.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4585.000
4.759909590D+09-5.321527320D+06-8.747403120D+02 3.794789480D+00-2.131568725D-03
4.974075900D-07-4.325425090D-11 4.096569650D+07 1.130483988D+02
Mo(L) Liquid. Ref-Elm. Chase,1998 pp1577-80.
1 j 3/78 MO 1.00 0.00 0.00 0.00 0.00 2 95.9400000 0.000
2896.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4585.000
0.000000000D+00 0.000000000D+00 4.528949992D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.022300696D+03-2.280790783D+01
MoO2(cr) Monoclinic. Gurvich,1982 pt1 p27 pt2 p32.
2 tpis82 MO 1.00O 2.00 0.00 0.00 0.00 1 127.9388000 -589300.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8328.000
-6.526622370D+06 1.230156278D+05-9.443937510D+02 3.807393330D+00-8.319729080D-03
9.477106540D-06-4.408972390D-09 -6.244588120D+05 4.921849140D+03
500.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8328.000
-2.051418601D+05 0.000000000D+00 8.963295880D+00-1.128973209D-04 1.146693959D-06
0.000000000D+00 0.000000000D+00 -7.424162440D+04-4.664669130D+01
MoO3(cr) Rhombic. Gurvich,1982 pt1 p30 pt2 p34.
2 tpis82 MO 1.00O 3.00 0.00 0.00 0.00 1 143.9382000 -744600.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12590.000
9.061545810D+06-1.658675979D+05 1.230236799D+03-4.691503730D+00 9.965828580D-03
-1.109194136D-05 5.065628490D-09 6.590937470D+05-6.461598540D+03
500.000 1075.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12590.000
-9.462974968D+04 0.000000000D+00 8.841771794D+00 4.197842086D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.269445280D+04-4.282025959D+01
MoO3(L) Liquid. Gurvich,1982 pt1 p30 pt2 p34.
1 tpis82 MO 1.00O 3.00 0.00 0.00 0.00 3 143.9382000 -744600.000
1075.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12590.000
0.000000000D+00 0.000000000D+00 1.527450205D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.123881420D+04-7.771899557D+01
NH4CL(II) Chase,1998 p765.
1 j 9/65 N 1.00H 4.00CL 1.00 0.00 0.00 1 53.4914600 -314553.000
298.150 457.7007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22698.000
1.593389657D+05 0.000000000D+00-5.965854940D+00 6.494193170D-02-5.391456890D-05
0.000000000D+00 0.000000000D+00 -3.792881500D+04 2.933013040D+01
NH4CL(III) Chase,1998 p765.
2 j 9/65 N 1.00H 4.00CL 1.00 0.00 0.00 2 53.4914600 -314553.000
457.700 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22698.000
-1.641820157D+07 1.639262758D+05-6.654529630D+02 1.447086973D+00-1.698254160D-03
1.056255415D-06-2.697574651D-10 -8.787975900D+05 3.897936900D+03
1000.000 1500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22698.000
8.409592660D+08-3.426760780D+06 5.548091470D+03-4.435674300D+00 1.772486202D-03
-2.817160120D-07 0.000000000D+00 2.063363145D+07-3.765976360D+04
NH4F(cr) Hexagonal. Gurvich,1989 pt1 p388 pt2 p324.
2 tpis89 N 1.00H 4.00F 1.00 0.00 0.00 1 37.0368632 -467560.000
200.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11108.000
-2.975636383D+06 7.208754230D+04-7.346289470D+02 4.075299810D+00-1.264044498D-02
2.111837237D-05-1.479873524D-08 -3.621184440D+05 3.608760970D+03
298.150 511.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11108.000
0.000000000D+00 0.000000000D+00 1.563531705D+00 2.108482641D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.763754000D+04-6.538862038D+00
NH4F(L) Liquid. Gurvich,1989 pt1 p388 pt2 p324.
1 tpis89 N 1.00H 4.00F 1.00 0.00 0.00 2 37.0368632 -467560.000
511.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11108.000
0.000000000D+00 0.000000000D+00 1.359069867D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.951515380D+04-6.780477125D+01
Na(cr) Cubic. Ref-Elm. Cox,1989 p254.
1 coda89 NA 1.00 0.00 0.00 0.00 0.00 1 22.9897700 0.000
200.000 371.0107 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6460.000
-3.584458010D+04 0.000000000D+00 6.479414690D+00-1.898697341D-02 3.352387090D-05
0.000000000D+00 0.000000000D+00 -1.504319740D+03-2.677783039D+01
Na(L) Liquid. Ref-Elm. Cox,1989 p254.
1 coda89 NA 1.00 0.00 0.00 0.00 0.00 2 22.9897700 0.000
371.010 2300.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6460.000
2.694818670D+04-2.319000780D+02 5.162435690D+00-3.058571990D-03 1.696407999D-06
-1.519633426D-10 1.962859159D-14 2.842114288D+02-2.225763980D+01
NaALO2(a) Alpha.Chase,1998 p131.
1 j 3/63 NA 1.00AL 1.00O 2.00 0.00 0.00 1 81.9701080 -1133190.000
200.000 740.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23794.000
4.527204140D+05-7.722924360D+03 5.000166380D+01-1.091293529D-01 1.762084005D-04
-1.452865027D-07 4.918123650D-11 -1.021205450D+05-2.738871707D+02
NaALO2(b) Beta. Chase,1998 p131.
1 j 3/63 NA 1.00AL 1.00O 2.00 0.00 0.00 2 81.9701080 -1133190.000
740.000 3000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23794.000
3.197980170D+06-1.525937524D+04 3.932924030D+01-2.623291355D-02 1.465112353D-05
-3.740532770D-09 3.560249390D-13 -4.988553210D+04-2.434131708D+02
NaBO2(cr) Hexagonal. Gurvich,1982 pt1 p357 pt2 p391.
2 tpis82 NA 1.00B 1.00O 2.00 0.00 0.00 1 65.7995700 -976500.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11632.000
-1.074702306D+05 2.343688910D+03-1.964636192D+01 1.319434021D-01-2.997058540D-04
3.640103610D-07-1.796104124D-10 -1.291527393D+05 9.915788280D+01
500.000 1239.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11632.000
-5.597627870D+04 0.000000000D+00 5.491743560D+00 1.171509302D-02-4.773472260D-06
0.000000000D+00 0.000000000D+00 -1.197489098D+05-2.604168849D+01
NaBO2(L) Liquid. Gurvich,1982 pt1 p357 pt2 p391.
1 tpis82 NA 1.00B 1.00O 2.00 0.00 0.00 2 65.7995700 -976500.000
1239.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11632.000
0.000000000D+00 0.000000000D+00 1.743939210D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.245121293D+05-9.701235601D+01
NaBr(cr) Cubic. Gurvich,1982 pt1 p340 pt2 p378.
2 tpis82 NA 1.00BR 1.00 0.00 0.00 0.00 1 102.8937700 -361160.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11590.000
3.210289070D+06-5.986721400D+04 4.572531830D+02-1.768432397D+00 3.814169490D-03
-4.295102010D-06 1.980139146D-09 2.245558598D+05-2.385763453D+03
500.000 1020.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11590.000
1.593247644D+04 0.000000000D+00 5.272913580D+00 2.440774360D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.506450850D+04-2.022580453D+01
NaBr(L) Liquid. Gurvich,1982 pt1 p340 pt2 p378.
1 tpis82 NA 1.00BR 1.00 0.00 0.00 0.00 2 102.8937700 -361160.000
1020.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11590.000
0.000000000D+00 0.000000000D+00 8.178473536D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.361938300D+04-3.477943790D+01
NaCN(II) Lambda trans@288.5K. Chase,1998(3/66) pp631-3. Messer,1941.
6 g 8/01 NA 1.00C 1.00N 1.00 0.00 0.00 1 49.0071700 -90709.000
197.700 245.9007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19422.128
4.995073610D+08-1.007656780D+07 7.458386410D+04-2.134406974D+02-6.965856220D-02
1.540182072D-03-2.204709373D-06 4.493712560D+07-3.984423000D+05
245.900 273.1007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19422.128
-4.546907220D+08 4.339535660D+06 5.476070770D+02-1.324240852D+02 5.045446840D-01
-5.791737950D-04 0.000000000D+00 -2.385188911D+07 3.106410058D+04
273.100 284.2007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19422.128
-4.415096320D+08 0.000000000D+00 3.452631670D+04-1.661761169D+02 2.250608921D-01
0.000000000D+00 0.000000000D+00 -6.388306670D+06-1.596447272D+05
284.200 286.3007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19422.128
1.647379186D+09 0.000000000D+00-6.100370390D+04 1.429224260D+02 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.735057318D+07 3.142435378D+05
286.300 287.7007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19422.128
1.607424258D+11 0.000000000D+00-8.629992400D+06 3.290155880D+04-3.355904228D+01
0.000000000D+00 0.000000000D+00 1.946284579D+09 4.175641230D+07
287.700 288.5007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19422.128
-1.494237648D+11 0.000000000D+00 8.652205900D+06-3.521604880D+04 3.968501633D+01
0.000000000D+00 0.000000000D+00 -1.866195945D+09-4.140143280D+07
NaCN(III) Lambda trans@288.5K. Chase,1998(3/66) pp631-3. Messer,1941.
3 g 8/01 NA 1.00C 1.00N 1.00 0.00 0.00 2 49.0071700 -90709.000
288.500 290.4007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19422.128
0.000000000D+00 0.000000000D+00 5.590153690D+06-4.787600130D+04 1.309325625D+02
-1.114230434D-01 0.000000000D+00 -4.753893060D+08-2.241133349D+07
290.400 293.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19422.128
0.000000000D+00 0.000000000D+00 1.752406137D+07-1.788423367D+05 6.083847560D+02
-6.898560518D-01 0.000000000D+00 -1.287828620D+09-6.746932890D+07
293.150 835.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19422.128
0.000000000D+00 0.000000000D+00 8.303074986D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.338528469D+04-3.306050253D+01
NaCN(L) Chase,1998(3/66) pp631-3. Messer,1941.
1 g 8/01 NA 1.00C 1.00N 1.00 0.00 0.00 3 49.0071700 -90709.000
835.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19422.128
0.000000000D+00 0.000000000D+00 9.561116650D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.337899448D+04-4.025831708D+01
NaCL(cr) Cubic. Gurvich,1982 pt1 p335 pt2 p374.
2 tpis82 NA 1.00CL 1.00 0.00 0.00 0.00 1 58.4427700 -411260.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10600.000
2.725695501D+06-5.160958750D+04 3.984582310D+02-1.547496756D+00 3.352172310D-03
-3.787781590D-06 1.751729541D-09 1.807530763D+05-2.076949046D+03
500.000 1074.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10600.000
2.657827371D+03 0.000000000D+00 5.665718690D+00 8.708901490D-04 1.340560030D-06
0.000000000D+00 0.000000000D+00 -5.119384720D+04-2.390773149D+01
NaCL(L) Liquid. Gurvich,1982 pt1 p335 pt2 p374.
1 tpis82 NA 1.00CL 1.00 0.00 0.00 0.00 2 58.4427700 -411260.000
1074.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10600.000
0.000000000D+00 0.000000000D+00 8.166446369D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.943459010D+04-3.649536621D+01
NaF(cr) Cubic. Gurvich,1982 pt1 p330 pt2 p370.
2 tpis82 NA 1.00F 1.00 0.00 0.00 0.00 1 41.9881732 -576600.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8482.000
-6.479380410D+06 1.203694117D+05-9.069923560D+02 3.596486550D+00-7.775987760D-03
8.784072120D-06-4.059177020D-09 -6.130723750D+05 4.744846560D+03
500.000 1269.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8482.000
-1.103659993D+05 0.000000000D+00 7.264294880D+00-1.973449856D-03 2.198504269D-06
0.000000000D+00 0.000000000D+00 -7.181627510D+04-3.536594020D+01
NaF(L) Liquid. Gurvich,1982 pt1 p330 pt2 p370.
1 tpis82 NA 1.00F 1.00 0.00 0.00 0.00 2 41.9881732 -576600.000
1269.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8482.000
0.000000000D+00 0.000000000D+00 8.431044042D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.918200450D+04-4.115725624D+01
NaH(cr) Cubic. Gurvich,1982 pt1 p324 pt2 p365.
2 tpis82 NA 1.00H 1.00 0.00 0.00 0.00 1 23.9977100 -56380.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6259.000
-7.991749220D+05 1.540118135D+04-1.207582590D+02 5.162361030D-01-1.142424910D-03
1.321529809D-06-6.221705120D-10 -7.637675350D+04 6.264186650D+02
500.000 911.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6259.000
-5.921209820D+04 0.000000000D+00 3.776579530D+00 4.250132020D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.294394750D+03-1.830678857D+01
NaH(L) Liquid. Gurvich,1982 pt1 p324 pt2 p365.
1 tpis82 NA 1.00H 1.00 0.00 0.00 0.00 2 23.9977100 -56380.000
911.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6259.000
0.000000000D+00 0.000000000D+00 6.735213500D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.034013160D+03-3.112842170D+01
NaI(cr) Cubic. Gurvich,1982 pt1 p343 pt2 p381.
2 tpis82 NA 1.00I 1.00 0.00 0.00 0.00 1 149.8942400 -289630.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12260.000
3.500848300D+06-6.540492260D+04 5.005676630D+02-1.943541204D+00 4.201134090D-03
-4.738515580D-06 2.187428593D-09 2.579135069D+05-2.609575154D+03
500.000 934.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12260.000
2.799960757D+04 0.000000000D+00 5.047026160D+00 3.029892968D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.637984440D+04-1.764780816D+01
NaI(L) Liquid. Gurvich,1982 pt1 p343 pt2 p381.
1 tpis82 NA 1.00I 1.00 0.00 0.00 0.00 2 149.8942400 -289630.000
934.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12260.000
0.000000000D+00 0.000000000D+00 8.058201866D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.505265490D+04-3.237951568D+01
NaNO2(I) Rhombic. Gurvich,1982 pt1 p350 pt2 p386.
2 tpis82 NA 1.00N 1.00O 2.00 0.00 0.00 1 68.9952700 -354600.000
298.150 400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16500.000
1.090298767D+06 0.000000000D+00-3.023894373D+01 8.811824148D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.389227900D+04 1.648982675D+02
400.000 436.7007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16500.000
0.000000000D+00 0.000000000D+00 5.419446245D+02-1.998525469D+00 0.000000000D+00
4.207630035D-06 0.000000000D+00 -1.254887886D+05-2.521831769D+03
NaNO2(I') Rhombic. Gurvich,1982 pt1 p350 pt2 p386.
1 tpis82 NA 1.00N 1.00O 2.00 0.00 0.00 2 68.9952700 -354600.000
436.700 557.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16500.000
0.000000000D+00 0.000000000D+00 1.599613206D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.773155280D+04-7.952982535D+01
NaNO2(L) Liquid. Gurvich,1982 pt1 p350 pt2 p386.
1 tpis82 NA 1.00N 1.00O 2.00 0.00 0.00 3 68.9952700 -354600.000
557.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16500.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.372398050D+04-5.120982634D+01
NaNO3(a) Hexagonal. Gurvich,1982 pt1 p353 pt2 p388.
2 tpis82 NA 1.00N 1.00O 3.00 0.00 0.00 1 84.9946700 -467700.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17230.000
-4.851300240D+07 9.186316330D+05-7.046384650D+03 2.807834358D+01-6.098595830D-02
6.858389720D-05-3.110743577D-08 -4.182115940D+06 3.676430560D+04
500.000 549.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17230.000
0.000000000D+00 0.000000000D+00 2.680735245D+01-1.753272291D-01 3.165502236D-04
0.000000000D+00 0.000000000D+00 -5.811076460D+04-9.741742276D+01
NaNO3(b) Hexagonal. Gurvich,1982 pt1 p353 pt2 p388.
1 tpis82 NA 1.00N 1.00O 3.00 0.00 0.00 2 84.9946700 -467700.000
549.000 579.6007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17230.000
0.000000000D+00 0.000000000D+00 1.683803375D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.159974430D+04-8.308035085D+01
NaNO3(L) Liquid. Gurvich,1982 pt1 p353 pt2 p388.
1 tpis82 NA 1.00N 1.00O 3.00 0.00 0.00 3 84.9946700 -467700.000
579.600 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17230.000
0.000000000D+00 0.000000000D+00 1.695830542D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.985936520D+04-8.072256364D+01
NaOH(a) Alpha. Gurvich,1996b.
2 g 5/99 NA 1.00O 1.00H 1.00 0.00 0.00 1 39.9971100 -425800.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10490.000
2.008329119D+04-7.714677160D+02 8.694171090D+00 3.850883340D-03-3.610498540D-06
0.000000000D+00 0.000000000D+00 -4.948023450D+04-4.524899570D+01
298.150 514.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10490.000
1.048215710D+06 0.000000000D+00-9.592892425D+01 6.189564989D-01-1.367212259D-03
1.067453163D-06 0.000000000D+00 -3.663541040D+04 4.270051072D+02
NaOH(b) Beta. Gurvich,1996b.
1 g 5/99 NA 1.00O 1.00H 1.00 0.00 0.00 2 39.9971100 -425800.000
514.000 568.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10490.000
0.000000000D+00 0.000000000D+00 9.621733572D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.442558950D+04-4.799292559D+01
NaOH(c) Gamma. Gurvich,1996b.
1 g 5/99 NA 1.00O 1.00H 1.00 0.00 0.00 3 39.9971100 -425800.000
568.000 594.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10490.000
0.000000000D+00 0.000000000D+00 1.034336359D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.407054750D+04-5.122288687D+01
NaOH(L) Liquid. Gurvich,1996b.
2 g 5/99 NA 1.00O 1.00H 1.00 0.00 0.00 4 39.9971100 -425800.000
594.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10490.000
0.000000000D+00 0.000000000D+00 1.077790513D+01-7.111663826D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.343827480D+04-5.228806116D+01
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10490.000
0.000000000D+00 0.000000000D+00 1.006673875D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.308269160D+04-4.808666421D+01
NaO2(cr) Cubic. Gurvich,1982 pt1 p319 pt2 p359.Chase,1998 p1646 6/63.
1 g10/99 NA 1.00O 2.00 0.00 0.00 0.00 1 54.9885700 -261000.000
223.300 825.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18300.000
0.000000000D+00 0.000000000D+00 7.541274230D+00 3.803351009D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.380838310D+04-3.016162188D+01
NaO2(L) Liq. Gurvich,1982 pt1 p319 pt2 p359.Chase,1998 p1646 6/63.
1 g10/99 NA 1.00O 2.00 0.00 0.00 0.00 2 54.9885700 -261000.000
825.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18300.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.374934750D+04-5.415977808D+01
Na2CO3(a) Alpha,monoclinic. Gurvich,1982 pt1 p356 pt2 p390.
1 tpis82 NA 2.00C 1.00O 3.00 0.00 0.00 1 105.9884400 -1129190.000
200.000 623.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20750.000
-2.240230091D+06 3.426046630D+04-2.061520520D+02 7.168720430D-01-1.253560327D-03
1.178136083D-06-4.526962410D-10 -2.999635262D+05 1.125584713D+03
Na2CO3(b) Beta,monoclinic. Gurvich,1982 pt1 p356 pt2 p390.
1 tpis82 NA 2.00C 1.00O 3.00 0.00 0.00 2 105.9884400 -1129190.000
623.000 752.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20750.000
0.000000000D+00 0.000000000D+00 7.711578914D+00 1.943638290D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.388766027D+05-3.334178005D+01
Na2CO3(c) Gamma,hexagonal. Gurvich,1982 pt1 p356 pt2 p390.
1 tpis82 NA 2.00C 1.00O 3.00 0.00 0.00 3 105.9884400 -1129190.000
752.000 1131.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20750.000
0.000000000D+00 0.000000000D+00 4.430327223D+00 1.645316441D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.353130199D+05-9.031669943D+00
Na2CO3(L) Liquid. Gurvich,1982 pt1 p356 pt2 p390.
1 tpis82 NA 2.00C 1.00O 3.00 0.00 0.00 4 105.9884400 -1129190.000
1131.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20750.000
0.000000000D+00 0.000000000D+00 2.345297558D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.429369053D+05-1.211911225D+02
Na2O(c) Gamma. Gurvich,1982 pt1 p320 pt2 p360.
2 tpis82 NA 2.00O 1.00 0.00 0.00 0.00 1 61.9789400 -414570.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12400.000
1.662637910D+06-3.189091340D+04 2.474349303D+02-9.313593580D-01 2.006501256D-03
-2.253952071D-06 1.037067374D-09 9.127774380D+04-1.292003778D+03
500.000 1023.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12400.000
2.551096288D+05-2.539111311D+03 1.659817003D+01-1.233767744D-02 1.540713549D-05
-8.084697830D-09 1.747972425D-12 -3.906526610D+04-8.958024740D+01
Na2O(b) Beta. Gurvich,1982 pt1 p320 pt2 p360.
1 tpis82 NA 2.00O 1.00 0.00 0.00 0.00 2 61.9789400 -414570.000
1023.000 1243.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12400.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.485897470D+04-6.235394464D+01
Na2O(a) Alpha. Gurvich,1982 pt1 p320 pt2 p360.
1 tpis82 NA 2.00O 1.00 0.00 0.00 0.00 3 61.9789400 -414570.000
1243.000 1405.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12400.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.377652960D+04-6.148311196D+01
Na2O(L) Liquid. Gurvich,1982 pt1 p320 pt2 p360.
1 tpis82 NA 2.00O 1.00 0.00 0.00 0.00 4 61.9789400 -414570.000
1405.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12400.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.944674950D+04-5.840141793D+01
Na2O2(b) Beta. Gurvich,1982 pt1 p323 pt2 p363.
2 tpis82 NA 2.00O 2.00 0.00 0.00 0.00 1 77.9783400 -512000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15694.000
-8.122024280D+05 1.451270156D+04-1.058114918D+02 4.802903390D-01-1.057140356D-03
1.219343411D-06-5.728124010D-10 -1.295899700D+05 5.525239130D+02
500.000 785.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15694.000
-1.051839392D+05 0.000000000D+00 1.054275850D+01 4.638430480D-03 4.381769570D-09
0.000000000D+00 0.000000000D+00 -6.528135100D+04-5.064487560D+01
Na2O2(a) Alpha. Gurvich,1982 pt1 p323 pt2 p363.
1 tpis82 NA 2.00O 2.00 0.00 0.00 0.00 2 77.9783400 -512000.000
785.000 948.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15694.000
0.000000000D+00 0.000000000D+00 1.359069867D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.546547070D+04-6.641239933D+01
Na2O2(L) Liquid. Gurvich,1982 pt1 p323 pt2 p363.
1 tpis82 NA 2.00O 2.00 0.00 0.00 0.00 3 77.9783400 -512000.000
948.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15694.000
0.000000000D+00 0.000000000D+00 1.611640373D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.581522070D+04-8.156770675D+01
Na2S(cr) Below lambda trans. Chase,1998 pp1667-9.
2 j 3/78 NA 2.00S 1.00 0.00 0.00 0.00 1 78.0445400 -366100.000
298.150 700.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-4.541358110D+05 4.959201300D+03-1.171687783D+01 4.586680300D-02-4.501505030D-05
1.801159260D-08 0.000000000D+00 -7.199330320D+04 8.057734670D+01
700.000 1276.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-3.527498880D+09 2.408466098D+07-6.783369110D+04 1.008062531D+02-8.320894540D-02
3.611294520D-05-6.422558180D-09 -1.325119033D+08 4.212898800D+05
Na2S(cr) Above lambda trans. Chase,1998 pp1667-9.
1 j 3/78 NA 2.00S 1.00 0.00 0.00 0.00 2 78.0445400 -366100.000
1276.000 1445.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
8.868348820D+08 0.000000000D+00-2.045962174D+03 1.675387705D+00-3.752802310D-04
0.000000000D+00 0.000000000D+00 2.169500522D+06 1.309983113D+04
Na2S(L) Chase,1998 pp1667-9.
1 j 3/78 NA 2.00S 1.00 0.00 0.00 0.00 3 78.0445400 -366100.000
1445.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 1.107076665D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.262953690D+04-4.848427350D+01
Na2SO3(cr) Crystal. Barin,1989 pt2 p1002.
1 bar 89 NA 2.00S 1.00O 3.00 0.00 0.00 1 126.0427400 -1100802.000
298.150 1184.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 1.290193602D+01 5.233511440D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.364746191D+05-5.751819280D+01
Na2SO3(L) Liquid. Barin,1989 pt2 p1002.
1 bar 89 NA 2.00S 1.00O 3.00 0.00 0.00 2 126.0427400 -1100802.000
1184.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 2.188992496D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.403382187D+05-1.123000267D+02
Na2SO4(V) Rhombic. Gurvich,1982 pt1 p346 pt2 p384.
1 tpis82 NA 2.00S 1.00O 4.00 0.00 0.00 1 142.0421400 -1387900.000
200.000 458.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23204.000
-8.689043820D+05 1.449012038D+04-9.087576950D+01 3.621919930D-01-5.592870850D-04
3.463421130D-07 0.000000000D+00 -2.371450313D+05 4.932876470D+02
Na2SO4(IV) Rhombic. Gurvich,1982 pt1 p346 pt2 p384.
1 tpis82 NA 2.00S 1.00O 4.00 0.00 0.00 2 142.0421400 -1387900.000
458.000 514.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23204.000
-1.455046659D+05 0.000000000D+00 1.308904554D+01 1.323950539D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.718682018D+05-6.127355231D+01
Na2SO4(I) Hexagonal. Gurvich,1982 pt1 p346 pt2 p384.
1 tpis82 NA 2.00S 1.00O 4.00 0.00 0.00 3 142.0421400 -1387900.000
514.000 1157.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23204.000
0.000000000D+00 0.000000000D+00 2.503069934D+01-1.581223668D-02 1.591831629D-05
0.000000000D+00 0.000000000D+00 -1.732950425D+05-1.201603231D+02
Na2SO4(L) Liquid. Gurvich,1982 pt1 p346 pt2 p384.
1 tpis82 NA 2.00S 1.00O 4.00 0.00 0.00 4 142.0421400 -1387900.000
1157.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23204.000
0.000000000D+00 0.000000000D+00 2.453542061D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.722609524D+05-1.218642150D+02
Na3ALF6(a) Monoclinic. Gurvich,1982 pt1 p361 pt2 p394.
2 tpis82 NA 3.00AL 1.00F 6.00 0.00 0.00 1 209.9412672 -3322400.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 38070.000
1.564580425D+07-2.923454204D+05 2.211217567D+03-8.502636700D+00 1.825363780D-02
-2.047448239D-05 9.409455420D-09 9.119433290D+05-1.157646461D+04
500.000 838.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 38070.000
-1.416702978D+05 0.000000000D+00 2.315158739D+01 1.479360403D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.076260850D+05-1.084672805D+02
Na3ALF6(b) Cubic. Gurvich,1982 pt1 p361 pt2 p394.
1 tpis82 NA 3.00AL 1.00F 6.00 0.00 0.00 2 209.9412672 -3322400.000
838.000 1286.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 38070.000
0.000000000D+00 0.000000000D+00 2.624279723D+01 7.980987454D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.065549160D+05-1.221511986D+02
Na3ALF6(L) Liquid. Gurvich,1982 pt1 p361 pt2 p394.
1 tpis82 NA 3.00AL 1.00F 6.00 0.00 0.00 3 209.9412672 -3322400.000
1286.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 38070.000
0.000000000D+00 0.000000000D+00 4.702622283D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.129238590D+05-2.499831311D+02
Na5AL3F14(cr) Tetragonal. Gurvich,1982 pt1 p362 pt2 p395.
2 tpis82 NA 5.00AL 3.00F 14.00 0.00 0.00 1 461.8711088 -7555000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 80830.000
-2.302157125D+07 4.240174110D+05-3.188373880D+03 1.288416515D+01-2.796179544D-02
3.169729270D-05-1.469118702D-08 -2.832459181D+06 1.667109223D+04
500.000 1010.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 80830.000
-8.720901540D+05 0.000000000D+00 6.109021050D+01 1.113784152D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.302863450D+05-2.943295261D+02
Na5AL3F14(L) Liquid. Gurvich,1982 pt1 p362 pt2 p395.
1 tpis82 NA 5.00AL 3.00F 14.00 0.00 0.00 2 461.8711088 -7555000.000
1010.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 80830.000
0.000000000D+00 0.000000000D+00 1.171446062D+02 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.528147600D+05-6.431511436D+02
Nb(cr) Crystal. Ref-Elm. Chase,1998 pp1675-8.
3 j12/73 NB 1.00 0.00 0.00 0.00 0.00 1 92.9063800 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5241.000
-4.254811710D+04 3.875297090D+02 1.184449739D+00 4.507436620D-03-5.232091980D-06
3.513452460D-09-9.507605800D-13 -2.864449323D+03-2.442975114D+00
1000.000 2000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5241.000
2.527695630D+07-1.085720528D+05 1.929168202D+02-1.727427651D-01 8.671274570D-05
-2.266162374D-08 2.437387316D-12 6.472317770D+05-1.284027328D+03
2000.000 2750.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5241.000
9.016788690D+08-1.888649522D+06 1.578845370D+03-6.588882220D-01 1.416307803D-04
-1.396561356D-08 4.411624050D-13 1.264760547D+07-1.175157316D+04
Nb(L) Liquid. Ref-Elm. Chase,1998 pp1675-8.
1 j12/73 NB 1.00 0.00 0.00 0.00 0.00 2 92.9063800 0.000
2750.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5241.000
0.000000000D+00 0.000000000D+00 4.025733326D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 1.427029683D+03-1.857965621D+01
NbO(cr) Cubic. Gurvich,1982 pt1 p75 pt2 p77.
1 tpis82 NB 1.00O 1.00 0.00 0.00 0.00 1 108.9057800 -406000.000
298.150 2217.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7200.000
-4.430808310D+04 0.000000000D+00 5.073540112D+00 1.194297680D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.054466650D+04-2.397978879D+01
NbO(L) Liquid. Gurvich,1982 pt1 p75 pt2 p77.
1 tpis82 NB 1.00O 1.00 0.00 0.00 0.00 2 108.9057800 -406000.000
2217.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7200.000
0.000000000D+00 0.000000000D+00 7.817658527D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.765976820D+04-3.975547844D+01
NbOCL3(cr) Barin,1989 pt2 p1030. Wagman,1982 p207.
1 bar 89 NB 1.00O 1.00CL 3.00 0.00 0.00 1 215.2647800 -879500.000
298.150 702.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-1.822304138D+05 4.828593360D+02 1.341861113D+01 7.546458250D-03-1.198129404D-05
9.997155720D-09-3.425554610D-12 -1.133897355D+05-6.057973360D+01
NbO2(II) Tetragonal. Gurvich,1982 pt1 p78 pt2 p80.
2 tpis82 NB 1.00O 2.00 0.00 0.00 0.00 1 124.9051800 -795000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9267.000
-3.914505940D+06 7.500739880D+04-5.854724840D+02 2.416380822D+00-5.358130280D-03
6.172498470D-06-2.893870224D-09 -4.324424750D+05 3.040766836D+03
500.000 1082.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9267.000
-2.074227934D+05 0.000000000D+00 1.075172627D+01-7.363421090D-03 7.988904160D-06
0.000000000D+00 0.000000000D+00 -9.926049480D+04-5.405566340D+01
NbO2(I) Tetragonal. Gurvich,1982 pt1 p78 pt2 p80.
1 tpis82 NB 1.00O 2.00 0.00 0.00 0.00 2 124.9051800 -795000.000
1082.000 2360.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9267.000
-2.470500366D+05 0.000000000D+00 1.027937906D+01 1.610437657D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.951665200D+04-5.395968051D+01
NbO2(L) Liquid. Gurvich,1982 pt1 p78 pt2 p80.
1 tpis82 NB 1.00O 2.00 0.00 0.00 0.00 3 124.9051800 -795000.000
2360.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9267.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.406789930D+04-6.330929540D+01
Nb2O5(cr) Monoclinic. Gurvich,1982 pt1 p81 pt2 p82.
2 tpis82 NB 2.00O 5.00 0.00 0.00 0.00 1 265.8097600 -1897000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22240.000
2.640209200D+07-4.944721050D+05 3.755171780D+03-1.472158158D+01 3.190561080D-02
-3.609939830D-05 1.669960716D-08 1.993996743D+06-1.963185769D+04
500.000 1783.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22240.000
2.666894830D+05 0.000000000D+00-3.157808421D+00 7.820838380D-02-9.622327490D-05
5.100828450D-08-9.357603760D-12 -2.290426814D+05 1.650612260D+01
Nb2O5(L) Liquid. Gurvich,1982 pt1 p81 pt2 p82.
1 tpis82 NB 2.00O 5.00 0.00 0.00 0.00 2 265.8097600 -1897000.000
1783.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22240.000
0.000000000D+00 0.000000000D+00 2.405433393D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.279011100D+05-1.212064449D+02
Ni(cr) Crystal Ref-Elm. <lambda trans 631K. Chase,1998 pp1697-700.
2 j12/76 NI 1.00 0.00 0.00 0.00 0.00 1 58.6934000 0.000
200.000 400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4786.000
-7.689131090D+05 1.433956218D+04-1.042751331D+02 3.926261320D-01-6.986906890D-04
4.906078910D-07 0.000000000D+00 -6.543789970D+04 5.511391170D+02
400.000 631.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4786.000
-3.345887340D+08 3.424527970D+06-1.394425564D+04 2.825654843D+01-2.847789131D-02
1.142789828D-05 0.000000000D+00 -1.750250768D+07 8.179861400D+04
Ni(cr) Crystal Ref-Elm. >lambda trans 631K. Chase,1998 pp1697-700.
2 j12/76 NI 1.00 0.00 0.00 0.00 0.00 2 58.6934000 0.000
631.000 1200.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4786.000
1.036354737D+09-6.813278550D+06 1.854367615D+04-2.673006535D+01 2.153531609D-02
-9.192464140D-06 1.624332987D-09 3.771960950D+07-1.157617522D+05
1200.000 1728.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4786.000
2.518440662D+09-9.895465230D+06 1.609737530D+04-1.386478566D+01 6.671320910D-03
-1.698988160D-06 1.788537986D-10 5.987658740D+07-1.087743318D+05
Ni(L) Liquid. Ref-Elm. Chase,1998 pp1697-700.
1 j12/76 NI 1.00 0.00 0.00 0.00 0.00 3 58.6934000 0.000
1728.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4786.000
0.000000000D+00 0.000000000D+00 4.679890938D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.216258550D+02-2.335474714D+01
NiS(b) Beta. Chase,1998 pp1704-6.
1 j12/76 NI 1.00S 1.00 0.00 0.00 0.00 1 90.7584000 -87864.000
200.000 652.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8465.000
9.281477840D+04-2.341897035D+03 2.156233266D+01-5.304222560D-02 9.993984760D-05
-9.111093130D-08 3.288570290D-11 -1.702746009D+03-1.117002463D+02
NiS(a) ALpha. Chase,1998 pp1704-6.
1 j12/76 NI 1.00S 1.00 0.00 0.00 0.00 2 90.7584000 -87864.000
652.000 1249.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8465.000
2.424566967D+05-1.320914239D+03 7.077218200D+00 9.029383650D-05 2.068184040D-06
-6.559770780D-10 8.194048850D-14 -3.434758890D+03-3.562024750D+01
NiS(L) Liquid. Chase,1998 pp1704-6.
1 j12/76 NI 1.00S 1.00 0.00 0.00 0.00 3 90.7584000 -87864.000
1249.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8465.000
0.000000000D+00 0.000000000D+00 9.233977709D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.105334670D+04-4.576765033D+01
NiS2(cr) Crystal. Chase,1998 pp1708-10.
1 j 3/77 NI 1.00S 2.00 0.00 0.00 0.00 1 122.8234000 -131377.600
298.150 1280.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-1.676910840D+03 1.842877438D+01 7.671341480D+00 2.663682250D-03-1.892467189D-07
1.078337009D-10-2.438956464D-14 -1.831575942D+04-3.578715100D+01
NiS2(L) Liquid. Chase,1998 pp1708-10.
1 j 3/77 NI 1.00S 2.00 0.00 0.00 0.00 2 122.8234000 -131377.600
1280.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 1.094496248D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.234477669D+04-4.971946503D+01
Ni3S2(a) Alpha. Pankratz,1987 p225-6. Chase,1998 pp1711-3 12/83.
1 g12/00 NI 3.00S 2.00 0.00 0.00 0.00 1 240.2102000 -217986.400
200.000 834.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21155.978
-6.710970630D+05 9.870810610D+03-5.338151110D+01 2.311567743D-01-3.933292800D-04
3.340311640D-07-1.054748249D-10 -7.620212300D+04 2.954015489D+02
Ni3S2(b) Beta. Pankratz,1987 p225-6.
1 g12/00 NI 3.00S 2.00 0.00 0.00 0.00 2 240.2102000 -217986.400
834.000 1064.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21155.978
-5.072819670D+04 0.000000000D+00 2.665250520D+01-4.426613790D-03 3.885431570D-07
0.000000000D+00 0.000000000D+00 -3.142142347D+04-1.348956828D+02
Ni3S2(L) Liquid. Pankratz,1987 p225-6.
1 g12/00 NI 3.00S 2.00 0.00 0.00 0.00 3 240.2102000 -217986.400
1064.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21155.978
0.000000000D+00 0.000000000D+00 2.274539329D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.720113051D+04-1.099086536D+02
Ni3S4(cr) Crystal. Chase,1998 p1714.
1 j 3/77 NI 3.00S 4.00 0.00 0.00 0.00 1 304.3402000 -301115.000
298.150 1100.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
7.214883180D+03-7.806476430D+01 1.500658024D+01 1.653827825D-02 8.768311110D-07
-5.301784170D-10 1.279272852D-13 -4.096266670D+04-6.825975310D+01
P(cr) White.Ref-Elm. Gurvich,1989 pt1 p395 pt2 p326. Chase,1998.
1 tpis89 P 1.00 0.00 0.00 0.00 0.00 1 30.9737610 0.000
195.400 317.3007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5360.000
-4.761561170D+06 1.135422659D+05-1.120481079D+03 5.889005080D+00-1.727002916D-02
2.689248597D-05-1.737186959D-08 -4.829321490D+05 5.551556600D+03
P(L) Liquid. Ref-Elm. Gurvich,1989 pt1 p395 pt2 p326.
1 tpis89 P 1.00 0.00 0.00 0.00 0.00 2 30.9737610 0.000
317.300 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5360.000
0.000000000D+00 0.000000000D+00 3.141496011D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.621436240D+02-1.272272999D+01
P4O10(cr) Crystal. Gurvich,1989 pt1 p417 pt2 p270.
2 tpis89 P 4.00O 10.00 0.00 0.00 0.00 1 283.8890440 -3010100.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 34220.000
-2.910475984D+04 0.000000000D+00 5.209612140D+00 7.058407940D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.668178470D+05-2.310786251D+01
298.150 699.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 34220.000
0.000000000D+00 0.000000000D+00 5.461897334D+00 8.078166964D-02-4.072398734D-05
0.000000000D+00 0.000000000D+00 -3.668889200D+05-2.561194012D+01
P4O10(L) Liquid. Gurvich,1989 pt1 p417 pt2 p270.
1 tpis89 P 4.00O 10.00 0.00 0.00 0.00 3 283.8890440 -3010100.000
699.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 34220.000
0.000000000D+00 0.000000000D+00 4.450051777D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.765523910D+05-2.311704609D+02
Pb(cr) Cubic. Ref-Elm. Gurvich,1991 pt1 p400 pt2 p337.
1 tpis91 PB 1.00 0.00 0.00 0.00 0.00 1 207.2000000 0.000
200.000 600.6507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6870.000
-6.149670140D+05 1.065718060D+04-7.129898940D+01 2.668406702D-01-5.182017320D-04
5.238665090D-07-2.151645616D-10 -4.974077560D+04 3.855826030D+02
Pb(L) Liquid. Ref-Elm. Gurvich,1991 pt1 p400 pt2 p337.
1 tpis91 PB 1.00 0.00 0.00 0.00 0.00 2 207.2000000 0.000
600.650 3600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6870.000
-3.798179327D+04 0.000000000D+00 4.364298076D+00-1.236392764D-03 4.946773773D-07
-5.231817630D-11 0.000000000D+00 -8.887330420D+02-1.619559677D+01
PbBr2(cr) Rhombic Crystal. Gurvich,1991 pt1 p435 pt2 p361.
2 tpis91 PB 1.00BR 2.00 0.00 0.00 0.00 1 367.0080000 -276700.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19230.000
0.000000000D+00 0.000000000D+00 6.565717260D+00 1.959605208D-02-3.191530530D-05
0.000000000D+00 0.000000000D+00 -3.582576310D+04-2.245707569D+01
298.150 644.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19230.000
8.046174699D+04 0.000000000D+00 6.899264058D+00 5.925905435D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.532970360D+04-2.124769272D+01
PbBr2(L) Liquid. Gurvich,1991 pt1 p435 pt2 p361.
1 tpis91 PB 1.00BR 2.00 0.00 0.00 0.00 2 367.0080000 -276700.000
644.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19230.000
0.000000000D+00 0.000000000D+00 1.347042700D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.648036370D+04-5.695842618D+01
PbCL2(cr) Rhombic Crystal. Gurvich,1991 pt1 p428 pt2 p356.
1 tpis91 PB 1.00CL 2.00 0.00 0.00 0.00 1 278.1060000 -359400.000
200.000 774.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17150.000
2.697281121D+06-4.212942350D+04 2.651641932D+02-7.891350070D-01 1.316948609D-03
-1.123561948D-06 3.854416550D-10 1.522766773D+05-1.434661776D+03
PbCL2(L) Liquid. Gurvich,1991 pt1 p428 pt2 p356.
1 tpis91 PB 1.00CL 2.00 0.00 0.00 0.00 2 278.1060000 -359400.000
774.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17150.000
0.000000000D+00 0.000000000D+00 1.335015533D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.613690180D+04-5.953419614D+01
PbF2(II) Rhombic Crystal(II). Gurvich,1991 pt1 p421 pt2 p351.
1 tpis91 PB 1.00F 2.00 0.00 0.00 0.00 1 245.1968064 -676000.000
298.150 583.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15000.000
1.363880734D+04 0.000000000D+00 7.104086711D+00 4.806777549D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.358963280D+04-2.908385048D+01
PbF2(I) Cubic Crystal(I). Gurvich,1991 pt1 p421 pt2 p351.
2 tpis91 PB 1.00F 2.00 0.00 0.00 0.00 2 245.1968064 -676000.000
583.000 716.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15000.000
-7.862766417D+07 0.000000000D+00 1.154013526D+03-2.413080386D+00 1.453441514D-03
0.000000000D+00 0.000000000D+00 -5.720487300D+05-6.285579567D+03
716.000 1103.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15000.000
3.516663038D+07 0.000000000D+00-1.580925394D+02 1.905776769D-01-5.650555475D-05
0.000000000D+00 0.000000000D+00 4.370723820D+04 9.735936305D+02
PbF2(L) Liquid. Gurvich,1991 pt1 p421 pt2 p351.
1 tpis91 PB 1.00F 2.00 0.00 0.00 0.00 3 245.1968064 -676000.000
1103.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15000.000
0.000000000D+00 0.000000000D+00 1.310961199D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.458950020D+04-6.282775717D+01
PbI2(cr) Hexagonal Crystal. Gurvich,1991 pt1 p441 pt2 p366.
2 tpis91 PB 1.00I 2.00 0.00 0.00 0.00 1 461.0089400 -176000.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19500.000
-6.615857400D+03 0.000000000D+00 8.879658690D+00 1.758307313D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.391562477D+04-3.012466437D+01
298.150 683.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19500.000
4.428402876D+04 0.000000000D+00 7.731062925D+00 3.690055096D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.348831172D+04-2.387008226D+01
PbI2(L) Liquid. Gurvich,1991 pt1 p441 pt2 p366.
1 tpis91 PB 1.00I 2.00 0.00 0.00 0.00 2 461.0089400 -176000.000
683.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19500.000
0.000000000D+00 0.000000000D+00 1.310961199D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.355165613D+04-5.237973135D+01
PbO(II-r) Tetragonal (II-red).Gurvich,1991 pt1 p409 pt2 p343.
2 tpis91 PB 1.00O 1.00 0.00 0.00 0.00 1 223.1994000 -218600.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9225.000
0.000000000D+00 0.000000000D+00 8.050624580D-01 2.884978163D-02-4.302158100D-05
0.000000000D+00 0.000000000D+00 -2.743361905D+04-3.117085753D+00
298.150 762.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9225.000
-6.651023332D+03 0.000000000D+00 4.939557472D+00 2.406636110D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.789339075D+04-2.073932502D+01
PbO(I-y) Rhombic (I-yellow).Gurvich,1991 pt1 p409 pt2 p343.
1 tpis91 PB 1.00O 1.00 0.00 0.00 0.00 2 223.1994000 -218600.000
762.000 1160.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9225.000
-3.360390450D+04 0.000000000D+00 5.407414267D+00 1.595644241D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.802576574D+04-2.321766400D+01
PbO(L) Liquid.Gurvich,1991 pt1 p409 pt2 p343.
1 tpis91 PB 1.00O 1.00 0.00 0.00 0.00 3 223.1994000 -218600.000
1160.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9225.000
0.000000000D+00 0.000000000D+00 7.817658527D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.664258145D+04-3.570913839D+01
PbO2(cr) Tetragonal. Gurvich,1991 pt1 p415 p52 p346.
2 tpis91 PB 1.00O 2.00 0.00 0.00 0.00 1 239.1988000 -276000.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10962.000
0.000000000D+00 0.000000000D+00 1.007530476D-01 4.035527600D-02-5.395750800D-05
0.000000000D+00 0.000000000D+00 -3.454199070D+04-1.557803514D+00
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10962.000
-2.593057198D+05 0.000000000D+00 1.010402297D+01 5.003301457D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.709944890D+04-5.052640331D+01
PbS(cr) Cubic. Gurvich,1991 pt1 p445 p52 p370.
2 tpis91 PB 1.00S 1.00 0.00 0.00 0.00 1 239.2650000 -99474.800
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11510.000
-1.110196130D+04 0.000000000D+00 5.788552660D+00 9.715425300D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.377027529D+04-2.236417313D+01
298.150 1386.5007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11510.000
-7.529006520D+04 0.000000000D+00 7.331760982D+00-2.262310106D-03 1.609234940D-06
0.000000000D+00 0.000000000D+00 -1.431615352D+04-3.062514348D+01
PbS(L) Liquid. Gurvich,1991 pt1 p445 p52 p370.
1 tpis91 PB 1.00S 1.00 0.00 0.00 0.00 2 239.2650000 -99474.800
1386.500 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11510.000
0.000000000D+00 0.000000000D+00 8.058201866D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.007241100D+04-3.316574241D+01
Pb2O3(cr) Monoclinic. Gurvich,1991 pt1 p417 pt2 p348.
2 tpis91 PB 2.00O 3.00 0.00 0.00 0.00 1 462.3982000 -491700.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20880.000
0.000000000D+00 0.000000000D+00 1.574967406D+00 6.633690300D-02-9.449445980D-05
0.000000000D+00 0.000000000D+00 -6.172080000D+04-6.282642160D+00
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20880.000
-3.314687215D+05 0.000000000D+00 1.505921576D+01 5.443495768D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.498118220D+04-7.101946635D+01
Pb3O4(cr) Tetragonal. Gurvich,1991 pt1 p418 pt2 p349.
1 tpis91 PB 3.00O 4.00 0.00 0.00 0.00 1 685.5976000 -720000.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 29830.000
7.031601470D+06-8.770415980D+04 4.195886490D+02-9.058738460D-01 1.138287119D-03
-7.358926050D-07 1.922732625D-10 3.431611340D+05-2.394229365D+03
Rb(cr) Cubic. Ref-Elm. Cox,1989 p260. Chase,1998a p1849 12/83.
1 coda89 RB 1.00 0.00 0.00 0.00 0.00 1 85.4678000 0.000
100.000 312.4707 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7489.000
-1.693678854D+05 5.116764690D+03-5.686760910D+01 3.403543550D-01-9.347996350D-04
1.017512352D-06 0.000000000D+00 -2.164547399D+04 2.805351095D+02
Rb(L) Liquid. Ref-Elm. Cox,1989 p260.
2 coda89 RB 1.00 0.00 0.00 0.00 0.00 2 85.4678000 0.000
312.470 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7489.000
2.365752770D+04 2.865695009D+02 1.546589030D+00 5.164698120D-03-6.065846790D-06
3.347806150D-09-5.178101420D-13 -1.933656171D+03 1.060307276D+00
1000.000 2100.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 7489.000
-3.672685780D+05 1.779065421D+03-3.414096790D-01 5.322070690D-03-4.262302730D-06
1.699676170D-09-4.416789770D-14 -1.110894373D+04 1.477099469D+01
RbBO2(b) Gurvich,1982 pt1 p458 pt2 p482.
2 tpis82 RB 1.00B 1.00O 2.00 0.00 0.00 1 128.2776000 -975000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13310.000
1.320700184D+06-2.114255330D+04 1.338015047D+02-3.804509820D-01 6.570568430D-04
-5.884791840D-07 2.152384344D-10 -2.010026759D+04-7.254857290D+02
500.000 968.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13310.000
-1.553422560D+05 0.000000000D+00 9.425074910D+00 3.853433670D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.207672511D+05-4.437890740D+01
RbBO2(a) Gurvich,1982 pt1 p458 pt2 p482.
1 tpis82 RB 1.00B 1.00O 2.00 0.00 0.00 2 128.2776000 -975000.000
968.000 1133.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13310.000
0.000000000D+00 0.000000000D+00 1.298934032D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.222516025D+05-6.507104425D+01
RbBO2(L) Gurvich,1982 pt1 p458 pt2 p482.
1 tpis82 RB 1.00B 1.00O 2.00 0.00 0.00 3 128.2776000 -975000.000
1133.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13310.000
0.000000000D+00 0.000000000D+00 1.743939210D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.235650894D+05-9.307583456D+01
RbBr(cr) Cubic. Gurvich,1982 pt1 p445 pt2 p469.
1 tpis82 RB 1.00BR 1.00 0.00 0.00 0.00 1 165.3718000 -394770.000
200.000 965.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13060.000
-5.724525880D+04 9.082670760D+02 4.275929780D-01 1.751269798D-02-2.421969308D-05
1.854230436D-08-5.603980870D-12 -5.357247720D+04 9.232346100D+00
RbBr(L) Liquid. Gurvich,1982 pt1 p445 pt2 p469.
1 tpis82 RB 1.00BR 1.00 0.00 0.00 0.00 2 165.3718000 -394770.000
965.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13060.000
0.000000000D+00 0.000000000D+00 8.755777550D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.852456540D+04-3.604442573D+01
RbCL(cr) Cubic. Gurvich,1982 pt1 p441 pt2 p466.
1 tpis82 RB 1.00CL 1.00 0.00 0.00 0.00 1 120.9208000 -435220.000
200.000 997.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12160.000
-5.731907690D+04 4.298433250D+02 4.955874940D+00 9.930643910D-04 3.857679940D-06
-4.516778380D-09 1.683809372D-12 -5.653364290D+04-1.609477359D+01
RbCL(L) Liquid. Gurvich,1982 pt1 p441 pt2 p466.
1 tpis82 RB 1.00CL 1.00 0.00 0.00 0.00 2 120.9208000 -435220.000
997.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12160.000
0.000000000D+00 0.000000000D+00 8.827940552D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.345006300D+04-3.845805693D+01
RbF(cr) Cubic. Gurvich,1982 pt1 p438 pt2 p463.
1 tpis82 RB 1.00F 1.00 0.00 0.00 0.00 1 104.4662032 -559700.000
298.150 1068.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10900.000
5.640741306D+03 0.000000000D+00 5.092663308D+00 3.129949931D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.895462790D+04-2.057230003D+01
RbF(L) Liquid. Gurvich,1982 pt1 p438 pt2 p463.
1 tpis82 RB 1.00F 1.00 0.00 0.00 0.00 2 104.4662032 -559700.000
1068.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10900.000
0.000000000D+00 0.000000000D+00 8.539288545D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.775044270D+04-3.835948403D+01
RbH(cr) Cubic. Gurvich,1982 pt1 p434 pt2 p458.
1 tpis82 RB 1.00H 1.00 0.00 0.00 0.00 1 86.4757400 -52300.000
298.150 858.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9100.000
-6.384020225D+04 0.000000000D+00 4.263149602D+00 3.963552873D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.951554350D+03-1.816921793D+01
RbH(L) Liquid. Gurvich,1982 pt1 p434 pt2 p458.
1 tpis82 RB 1.00H 1.00 0.00 0.00 0.00 2 86.4757400 -52300.000
858.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9100.000
0.000000000D+00 0.000000000D+00 6.735213500D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.893290150D+03-2.833905350D+01
RbI(cr) Cubic. Gurvich,1982 pt1 p448 pt2 p472.
1 tpis82 RB 1.00I 1.00 0.00 0.00 0.00 1 212.3722700 -333600.000
200.000 929.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13340.000
-1.871461077D+05 2.207646572D+03-3.199388250D+00 1.739850250D-02-1.184152545D-05
3.313152520D-09 3.472456000D-13 -5.305010310D+04 3.417793530D+01
RbI(L) Liquid. Gurvich,1982 pt1 p448 pt2 p472.
1 tpis82 RB 1.00I 1.00 0.00 0.00 0.00 2 212.3722700 -333600.000
929.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13340.000
0.000000000D+00 0.000000000D+00 8.671587382D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.112940250D+04-3.435941214D+01
RbNO2(I) Cubic. Gurvich,1982 pt1 p453 pt2 p477.
1 tpis82 RB 1.00N 1.00O 2.00 0.00 0.00 1 131.4733000 -367000.000
298.150 695.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23400.000
0.000000000D+00 0.000000000D+00 9.108895172D+00 3.333690139D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.700369140D+04-3.340874045D+01
RbNO2(L) Liquid. Gurvich,1982 pt1 p453 pt2 p477.
1 tpis82 RB 1.00N 1.00O 2.00 0.00 0.00 2 131.4733000 -367000.000
695.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23400.000
0.000000000D+00 0.000000000D+00 1.250825364D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.710583050D+04-5.124298955D+01
RbNO3(IV) Hexagonal. Gurvich,1982 pt1 p455 pt2 p479.
1 tpis82 RB 1.00N 1.00O 3.00 0.00 0.00 1 147.4727000 -494700.000
200.000 437.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19640.000
1.211253372D+07-2.028159094D+05 1.325899840D+03-4.151421820D+00 6.401606600D-03
-3.822822630D-06 0.000000000D+00 8.768873850D+05-7.162144700D+03
RbNO3(III) Cubic. Gurvich,1982 pt1 p455 pt2 p479.
1 tpis82 RB 1.00N 1.00O 3.00 0.00 0.00 2 147.4727000 -494700.000
437.000 493.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19640.000
0.000000000D+00 0.000000000D+00 9.120561524D+00 1.643716828D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.277664760D+04-3.918776498D+01
RbNO3(II) Hexagonal. Gurvich,1982 pt1 p455 pt2 p479.
1 tpis82 RB 1.00N 1.00O 3.00 0.00 0.00 3 147.4727000 -494700.000
493.000 556.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19640.000
0.000000000D+00 0.000000000D+00 1.078616780D+02-2.821762196D-01 0.000000000D+00
3.922207081D-07 0.000000000D+00 -8.057470150D+04-5.191016028D+02
RbNO3(I) Cubic. Gurvich,1982 pt1 p455 pt2 p479.
1 tpis82 RB 1.00N 1.00O 3.00 0.00 0.00 4 147.4727000 -494700.000
556.000 583.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19640.000
0.000000000D+00 0.000000000D+00 1.755966377D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.449488250D+04-8.253206472D+01
RbNO3(L) Liquid. Gurvich,1982 pt1 p455 pt2 p479.
1 tpis82 RB 1.00N 1.00O 3.00 0.00 0.00 5 147.4727000 -494700.000
583.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19640.000
0.000000000D+00 0.000000000D+00 1.755966377D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.394163280D+04-8.158309442D+01
RbOH(b) Beta. Gurvich,1997.
1 g 8/97 RB 1.00O 1.00H 1.00 0.00 0.00 1 102.4751400 -418800.000
298.150 508.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13500.000
0.000000000D+00 0.000000000D+00 6.589925323D+00 5.731305874D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.258929920D+04-2.794998878D+01
RbOH(c) Gamma. Gurvich,1997.
1 g 8/97 RB 1.00O 1.00H 1.00 0.00 0.00 2 102.4751400 -418800.000
508.000 658.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13500.000
0.000000000D+00 0.000000000D+00 9.140646893D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.248404970D+04-3.962855491D+01
RbOH(L) Liquid. Gurvich,1997.
1 g 8/97 RB 1.00O 1.00H 1.00 0.00 0.00 3 102.4751400 -418800.000
658.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13500.000
0.000000000D+00 0.000000000D+00 1.034336359D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.231326390D+04-4.597096049D+01
RbO2(b) Beta,hexagonal. Gurvich,1982 pt1 p430 pt2 p453.
1 tpis82 RB 1.00O 2.00 0.00 0.00 0.00 1 117.4666000 -279100.000
200.000 423.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16760.000
-5.914373690D+05 9.356154690D+03-5.173703230D+01 1.872603527D-01-2.664203296D-04
1.581120816D-07 0.000000000D+00 -7.971547560D+04 2.930911089D+02
RbO2(a) Alpha,cubic. Gurvich,1982 pt1 p430 pt2 p453.
1 tpis82 RB 1.00O 2.00 0.00 0.00 0.00 2 117.4666000 -279100.000
423.000 813.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16760.000
0.000000000D+00 0.000000000D+00 1.058390693D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.680173520D+04-4.488768335D+01
RbO2(L) Liquid. Gurvich,1982 pt1 p430 pt2 p453.
1 tpis82 RB 1.00O 2.00 0.00 0.00 0.00 3 117.4666000 -279100.000
813.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16760.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.544940050D+04-5.145193248D+01
Rb2CO3(a) Alpha,monoclinic. Gurvich,1982 pt1 p457 pt2 p481.
1 tpis82 RB 2.00C 1.00O 3.00 0.00 0.00 1 230.9445000 -1132600.000
200.000 576.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24480.000
-1.377487286D+06 2.415872404D+04-1.620555595D+02 6.425655960D-01-1.249826185D-03
1.304525231D-06-5.552423710D-10 -2.500033904D+05 8.719586300D+02
Rb2CO3(b) Beta,hexagonal. Gurvich,1982 pt1 p457 pt2 p481.
1 tpis82 RB 2.00C 1.00O 3.00 0.00 0.00 2 230.9445000 -1132600.000
576.000 1146.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24480.000
0.000000000D+00 0.000000000D+00 1.355678206D+01 8.280944999D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.405896222D+05-5.801044809D+01
Rb2CO3(L) Liquid. Gurvich,1982 pt1 457 pt2 p481.
1 tpis82 RB 2.00C 1.00O 3.00 0.00 0.00 3 230.9445000 -1132600.000
1146.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24480.000
0.000000000D+00 0.000000000D+00 2.465569228D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.442630744D+05-1.235531008D+02
Rb2O(c) Gamma,cubic. Gurvich,1982 pt1 p431 pt2 p454.
1 tpis82 RB 2.00O 1.00 0.00 0.00 0.00 1 186.9350000 -338000.000
298.150 543.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15600.000
0.000000000D+00 0.000000000D+00 6.190743652D+00 9.087246272D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.290149280D+04-2.294776447D+01
Rb2O(b) Beta,cubic. Gurvich,1982 pt1 p431 pt2 p454.
1 tpis82 RB 2.00O 1.00 0.00 0.00 0.00 2 186.9350000 -338000.000
543.000 613.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15600.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.464679770D+04-5.461093903D+01
Rb2O(a) Alpha,hexagonal. Gurvich,1982 pt1 p431 pt2 p454.
1 tpis82 RB 2.00O 1.00 0.00 0.00 0.00 3 186.9350000 -338000.000
613.000 778.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15600.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.416571100D+04-5.382613205D+01
Rb2O(L) Liquid. Gurvich,1982 pt1 p431 pt2 p454.
1 tpis82 RB 2.00O 1.00 0.00 0.00 0.00 4 186.9350000 -338000.000
778.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15600.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.176027770D+04-5.073431535D+01
Rb2O2(b) Beta,rhombic Gurvich,1982 pt1 p433 pt2 p456.
1 tpis82 RB 2.00O 2.00 0.00 0.00 0.00 1 202.9344000 -410000.000
298.150 398.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19700.000
0.000000000D+00 0.000000000D+00 2.566116344D+00 2.890861879D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.136136520D+04-3.996333599D+00
Rb2O2(a) Alpha,cubic. Gurvich,1982 pt1 p433 pt2 p456.
1 tpis82 RB 2.00O 2.00 0.00 0.00 0.00 2 202.9344000 -410000.000
398.000 843.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19700.000
0.000000000D+00 0.000000000D+00 1.407178535D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.365100100D+04-6.136883861D+01
Rb2O2(L) Liquid. Gurvich,1982 pt1 p433 pt2 p456.
1 tpis82 RB 2.00O 2.00 0.00 0.00 0.00 3 202.9344000 -410000.000
843.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19700.000
0.000000000D+00 0.000000000D+00 1.611640373D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.284890920D+04-7.214727369D+01
Rb2SO4(a) Alpha,rhombic. Gurvich,1982 pt1 p451 pt2 p475.
3 tpis82 RB 2.00S 1.00O 4.00 0.00 0.00 1 266.9982000 -1435900.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27014.000
-1.192448350D+07 2.294293959D+05-1.785117228D+03 7.309062720D+00-1.617521748D-02
1.861676545D-05-8.714648070D-09 -1.202291196D+06 9.289553650D+03
500.000 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27014.000
-4.871322610D+05 0.000000000D+00 2.853725036D+01-3.587804810D-02 4.220439770D-05
0.000000000D+00 0.000000000D+00 -1.816178572D+05-1.327574146D+02
800.000 931.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27014.000
0.000000000D+00 0.000000000D+00 3.464686434D+02-6.082068577D-01 0.000000000D+00
3.246132364D-07 0.000000000D+00 -2.782463487D+05-1.841656965D+03
Rb2SO4(b) Beta,hexagonal. Gurvich,1982 pt1 p451 pt2 p475.
1 tpis82 RB 2.00S 1.00O 4.00 0.00 0.00 2 266.9982000 -1435900.000
931.000 1343.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27014.000
0.000000000D+00 0.000000000D+00 1.107353290D+01 1.230667833D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.739435450D+05-3.919109508D+01
Rb2SO4(L) Liquid. Gurvich,1982 pt1 p451 pt2 p475.
1 tpis82 RB 2.00S 1.00O 4.00 0.00 0.00 3 266.9982000 -1435900.000
1343.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 27014.000
0.000000000D+00 0.000000000D+00 2.483609978D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.768420750D+05-1.184499504D+02
S(a) Alpha. Ref-Elm. Gurvich,1989 pt1 p265 pt2 p160.
1 tpis89 S 1.00 0.00 0.00 0.00 0.00 1 32.0650000 0.000
200.000 368.3007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4412.000
-1.035710779D+04 0.000000000D+00 1.866766938D+00 4.256140250D-03-3.265252270D-06
0.000000000D+00 0.000000000D+00 -7.516389580D+02-7.961066980D+00
S(b) Beta. Ref-Elm. Gurvich,1989 pt1 p265 pt2 p160.
1 tpis89 S 1.00 0.00 0.00 0.00 0.00 2 32.0650000 0.000
368.300 388.3607 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4412.000
0.000000000D+00 0.000000000D+00 2.080514131D+00 2.440879557D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.852714730D+02-8.607846750D+00
S(L) Liquid. Ref-Elm. Gurvich,1989 pt1 p265 pt2 p160.
5 tpis89 S 1.00 0.00 0.00 0.00 0.00 3 32.0650000 0.000
388.360 428.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4412.000
-6.366550765D+07 0.000000000D+00 2.376860693D+03-7.888076026D+00 7.376076522D-03
0.000000000D+00 0.000000000D+00 -6.356594920D+05-1.186929589D+04
428.150 432.2507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4412.000
0.000000000D+00 0.000000000D+00 6.928522306D+03-3.254655981D+01 3.824448176D-02
0.000000000D+00 0.000000000D+00 -9.832222680D+05-3.154806751D+04
432.250 453.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4412.000
0.000000000D+00 0.000000000D+00 1.649945697D+02-6.843534977D-01 7.315907973D-04
0.000000000D+00 0.000000000D+00 -2.638846929D+04-7.681730097D+02
453.150 717.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4412.000
1.972984578D+06 0.000000000D+00-2.441009753D+01 6.090352889D-02-3.744069103D-05
0.000000000D+00 0.000000000D+00 1.113013440D+04 1.363174183D+02
717.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4412.000
0.000000000D+00 0.000000000D+00 3.848693429D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.284589830D+02-1.736128237D+01
SCL2(L) Chase,1998 p855.
1 j 6/78 S 1.00CL 2.00 0.00 0.00 0.00 1 102.9710000 -49790.000
298.150 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 1.094496248D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.251567000D+03-4.026872255D+01
S2CL2(L) Chase,1998 p858.
1 j 6/78 S 2.00CL 2.00 0.00 0.00 0.00 1 135.0360000 -58158.000
298.150 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 1.494856582D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.145167466D+04-5.824880790D+01
Sc(a) Alpha. Ref-Elm. Gurvich,1982 pt1 p137 pt2 p138.
2 tpis82 SC 1.00 0.00 0.00 0.00 0.00 1 44.9559100 0.000
100.000 400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5207.000
-5.723537690D+03 0.000000000D+00 1.835072325D+00 9.478861990D-03-2.317188582D-05
2.004221829D-08 0.000000000D+00 -8.225089040D+02-8.279121410D+00
400.000 1609.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5207.000
-2.296409436D+04 0.000000000D+00 3.590296910D+00-1.480249906D-03 2.132230702D-06
-4.653598600D-10 0.000000000D+00 -1.099543829D+03-1.605255360D+01
Sc(b) Beta. Ref-Elm. Gurvich,1982 pt1 p137 pt2 p138.
1 tpis82 SC 1.00 0.00 0.00 0.00 0.00 2 44.9559100 0.000
1609.000 1814.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5207.000
0.000000000D+00 0.000000000D+00 5.316007798D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.113439951D+03-2.875686543D+01
Sc(L) Liquid. Ref-Elm. Gurvich,1982 pt1 p137 pt2 p138.
1 tpis82 SC 1.00 0.00 0.00 0.00 0.00 3 44.9559100 0.000
1814.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5207.000
0.000000000D+00 0.000000000D+00 5.291953464D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.373974847D+03-2.764152183D+01
Sc2O3(cr) Cubic. Gurvich,1982 pt1 p145 pt2 p150.
2 tpis82 SC 2.00O 3.00 0.00 0.00 0.00 1 137.9100200 -1908600.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13930.000
-2.372563268D+06 4.573798990D+04-3.655376590D+02 1.588230977D+00-3.584389210D-03
4.185870320D-06-1.985472581D-09 -4.353786390D+05 1.884709407D+03
500.000 2762.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13930.000
-2.669869135D+05 0.000000000D+00 1.386002327D+01 1.535415402D-03 1.928963573D-07
0.000000000D+00 0.000000000D+00 -2.346482672D+05-7.170005710D+01
Sc2O3(L) Liquid. Gurvich,1982 pt1 p145 pt2 p150.
1 tpis82 SC 2.00O 3.00 0.00 0.00 0.00 2 137.9100200 -1908600.000
2762.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13930.000
0.000000000D+00 0.000000000D+00 2.405433393D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.402224225D+05-1.419525042D+02
Si(cr) Cubic. Ref-Elm. Gurvich,1991 pt1 p236 pt2 p220.
2 tpis91 SI 1.00 0.00 0.00 0.00 0.00 1 28.0855000 0.000
200.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 3217.471
-2.323538208D+04 0.000000000D+00 2.102021680D+00 1.809220552D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.850635210D+02-1.038427318D+01
298.150 1690.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 3217.471
-5.232559740D+04 0.000000000D+00 2.850169415D+00 3.975166970D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.042947234D+03-1.438964187D+01
Si(L) Liquid. Ref-Elm. Gurvich,1991 pt1 p236 pt2 p220.
1 tpis91 SI 1.00 0.00 0.00 0.00 0.00 2 28.0855000 0.000
1690.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 3217.471
0.000000000D+00 0.000000000D+00 3.271389414D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 4.882667110D+03-1.326611073D+01
SiC(b) Beta,cubic. Gurvich,1991 pt1 p298 pt2 p264.
2 tpis91 SI 1.00C 1.00 0.00 0.00 0.00 1 40.0962000 -73000.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 3272.000
-2.285496383D+03 0.000000000D+00-5.349100620D-01 1.271547084D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.193174900D+03 1.241441354D+00
298.150 3105.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 3272.000
-1.269106658D+05 0.000000000D+00 3.757286960D+00 3.481744565D-03-1.620660748D-06
2.611097948D-10 0.000000000D+00 -1.046667760D+04-2.109198538D+01
SiC(L) Liquid. Gurvich,1991 pt1 p298 pt2 p264.
1 tpis91 SI 1.00C 1.00 0.00 0.00 0.00 2 40.0962000 -73000.000
3103.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 3272.000
0.000000000D+00 0.000000000D+00 7.577115188D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.787459000D+03-4.367596159D+01
SiO2(a-qz) Alpha-quartz,hexagonal. Gurvich,1991 pt1 p250 pt2 p228.
1 tpis91 SI 1.00O 2.00 0.00 0.00 0.00 1 60.0843000 -910700.000
200.000 848.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6916.000
-5.776895500D+05 7.214661110D+03-3.145730294D+01 7.412177150D-02-8.670077820D-06
-1.080461312D-07 8.316324910D-11 -1.462398375D+05 1.842424399D+02
SiO2(b-qz) Beta-quartz,hexagonal. Gurvich,1991 pt1 p250 pt2 p228.
1 tpis91 SI 1.00O 2.00 0.00 0.00 0.00 2 60.0843000 -910700.000
848.000 1200.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6916.000
2.317635074D+04 0.000000000D+00 7.026511484D+00 1.241925261D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.117012474D+05-3.580751356D+01
SiO2(b-crt) Beta-cristobalite,cubic. Gurvich,1991 pt1 p250 pt2 p228.
1 tpis91 SI 1.00O 2.00 0.00 0.00 0.00 3 60.0843000 -910700.000
1200.000 1996.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6916.000
-5.356419079D+05 0.000000000D+00 9.331036946D+00-7.306503931D-04 3.339944266D-07
0.000000000D+00 0.000000000D+00 -1.134326721D+05-4.998768383D+01
SiO2(L) Liquid. Gurvich,1991 pt1 p250 pt2 p228.
1 tpis91 SI 1.00O 2.00 0.00 0.00 0.00 4 60.0843000 -910700.000
1996.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6916.000
0.000000000D+00 0.000000000D+00 1.004268442D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.140002976D+05-5.554279592D+01
SiS(cr) Crystal. Gurvich,1991 pt1 p289 pt2 p257.
1 tpis91 SI 1.00S 1.00 0.00 0.00 0.00 1 60.1505000 -168737.210
298.150 1363.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9000.490
0.000000000D+00 0.000000000D+00 4.873408054D+00 1.807202108D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.182763678D+04-2.072841584D+01
SiS(L) Liquid. Gurvich,1991 pt1 p289 pt2 p257.
1 tpis91 SI 1.00S 1.00 0.00 0.00 0.00 2 60.1505000 -168737.210
1363.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 9000.490
0.000000000D+00 0.000000000D+00 8.058201866D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.076140696D+04-3.851581605D+01
SiS2(cr) Tetragonal. Gurvich,1991 pt1 p293 pt2 p259.
2 tpis91 SI 1.00S 2.00 0.00 0.00 0.00 1 92.2155000 -287000.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11180.490
-1.489679569D+04 0.000000000D+00 3.921710460D+00 1.226970632D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.628253940D+04-1.684224727D+01
298.150 1363.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11180.490
0.000000000D+00 0.000000000D+00 6.423349061D+00 3.317212921D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.658052990D+04-2.834259902D+01
SiS2(L) Liquid. Gurvich,1991 pt1 p293 pt2 p259.
1 tpis91 SI 1.00S 2.00 0.00 0.00 0.00 2 92.2155000 -287000.000
1363.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11180.490
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.909260770D+04-6.276638967D+01
Si2N2O(cr) Fegley,1981.
2 g 7/95 SI 2.00N 2.00O 1.00 0.00 0.00 1 100.1838000 -947700.000
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-7.783293180D+06 7.787697680D+04-3.226727260D+02 7.513788890D-01-9.139450720D-04
5.774402010D-07-1.479973902D-10 -5.139865410D+05 1.873124449D+03
1000.000 2500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-7.414096340D+06 2.559424417D+04-2.535540920D+01 3.208894230D-02-1.340182230D-05
3.075006784D-09-2.892800339D-13 -2.762647725D+05 1.907774092D+02
Si3N4(cr) Hexagonal. Gurvich,1991 pt1 p297 pt2 p262.
2 tpis91 SI 3.00N 4.00 0.00 0.00 0.00 1 140.2833000 -787800.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12113.490
-1.136434515D+04 0.000000000D+00-4.993435710D-01 3.962318940D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.640037870D+04-1.086768954D+00
298.150 4000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 12113.490
-2.910454134D+05 0.000000000D+00 1.189210188D+01 9.349799327D-03-2.551082385D-06
2.857654871D-10 0.000000000D+00 -9.966541740D+04-6.412447976D+01
Sn(cr) CrI,tetragonal. Ref-Elm. Gurvich,1991 pt1 p350 pt2 p300.
1 tpis91 SN 1.00 0.00 0.00 0.00 0.00 1 118.7100000 0.000
200.000 505.1187 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6323.000
-9.970568110D+05 1.865056292D+04-1.393005103D+02 5.652800870D-01-1.229162587D-03
1.398259924D-06-6.465843270D-10 -8.479846440D+04 7.317981190D+02
Sn(L) Liquid. Ref-Elm. Gurvich,1991 pt1 p350 pt2 p300.
1 tpis91 SN 1.00 0.00 0.00 0.00 0.00 2 118.7100000 0.000
505.118 4700.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6323.000
9.847844311D+04 0.000000000D+00 3.028921728D+00 2.531718646D-04-1.960428215D-08
0.000000000D+00 0.000000000D+00 2.209652103D+02-9.089783541D+00
SnBr2(cr) Rhombic. Gurvich,1991 pt1 p379 pt2 p322.
2 tpis91 SN 1.00BR 2.00 0.00 0.00 0.00 1 278.5180000 -253600.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18670.000
-1.072142073D+04 0.000000000D+00 8.650388720D+00 3.246938990D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.326028440D+04-3.191324070D+01
298.150 503.4007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18670.000
1.596365871D+05 0.000000000D+00 4.310656912D+00 1.137469316D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.175626170D+04-8.652273965D+00
SnBr2(L) Liquid. Gurvich,1991 pt1 p379 pt2 p322.
2 tpis91 SN 1.00BR 2.00 0.00 0.00 0.00 2 278.5180000 -253600.000
503.400 860.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18670.000
2.804494793D+05 0.000000000D+00 1.427732963D+01-2.218170403D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.305162210D+04-6.008238208D+01
860.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18670.000
0.000000000D+00 0.000000000D+00 1.274879698D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.288346740D+04-5.185141223D+01
SnBr4(cr) Monoclinic. Gurvich,1991 pt1 p382 pt2 p325.
1 tpis91 SN 1.00BR 4.00 0.00 0.00 0.00 1 438.3260000 -388000.000
200.000 302.2507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 31260.000
-3.870038960D+06 0.000000000D+00 3.663330300D+02-1.775658617D+00 2.504656832D-03
0.000000000D+00 0.000000000D+00 -1.120730416D+05-1.659626236D+03
SnBr4(L) Liquid. Gurvich,1991 pt1 p382 pt2 p325.
2 tpis91 SN 1.00BR 4.00 0.00 0.00 0.00 2 438.3260000 -388000.000
302.250 470.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 31260.000
1.124780655D+05 0.000000000D+00 1.859869072D+01-4.792826035D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.036569340D+04-6.913668591D+01
470.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 31260.000
0.000000000D+00 0.000000000D+00 1.888265213D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.079140710D+04-7.136367786D+01
SnCL2(cr) Rhombic. Gurvich,1991 pt1 p372 pt2 p316.
1 tpis91 SN 1.00CL 2.00 0.00 0.00 0.00 1 189.6160000 -333000.000
200.000 520.2007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17330.000
-3.455659100D+05 5.121048940D+03-2.179939832D+01 8.738265750D-02-1.087380837D-04
5.701191040D-08 0.000000000D+00 -6.692353080D+04 1.338412221D+02
SnCL2(L) Liquid. Gurvich,1991 pt1 p372 pt2 p316.
1 tpis91 SN 1.00CL 2.00 0.00 0.00 0.00 2 189.6160000 -333000.000
520.200 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17330.000
0.000000000D+00 0.000000000D+00 1.322988366D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.294240400D+04-5.766924967D+01
SnCL4(L) Liquid. Gurvich,1991 pt1 p375 pt2 p319.
2 tpis91 SN 1.00CL 4.00 0.00 0.00 0.00 1 260.5220000 -517000.000
239.050 350.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 38740.000
0.000000000D+00 0.000000000D+00 2.059050984D+01-5.567014773D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.807207820D+04-8.378462335D+01
350.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 38740.000
0.000000000D+00 0.000000000D+00 1.864210880D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.773111750D+04-7.431947542D+01
SnF2(cr) Monoclinic. Gurvich,1991 pt1 p367 pt2 p311.
1 tpis91 SN 1.00F 2.00 0.00 0.00 0.00 1 156.7068064 -677000.000
298.150 488.2007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14200.000
0.000000000D+00 0.000000000D+00 6.575252180D+00 7.150150760D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.370213250D+04-2.802481800D+01
SnF2(L) Liquid. Gurvich,1991 pt1 p367 pt2 p311.
1 tpis91 SN 1.00F 2.00 0.00 0.00 0.00 2 156.7068064 -677000.000
488.200 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14200.000
0.000000000D+00 0.000000000D+00 1.202716700D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.424882400D+04-5.569866810D+01
SnI2(cr) Monoclinic. Gurvich,1991 pt1 p386 pt2 p328.
1 tpis91 SN 1.00I 2.00 0.00 0.00 0.00 1 372.5189400 -153000.000
200.000 595.7007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18950.000
8.194427570D+05-1.285027272D+04 8.314392190D+01-1.959449848D-01 2.384765022D-04
-9.891789320D-08 0.000000000D+00 3.957086730D+04-4.432502620D+02
SnI2(L) Liquid. Gurvich,1991 pt1 p386 pt2 p328.
2 tpis91 SN 1.00I 2.00 0.00 0.00 0.00 2 372.5189400 -153000.000
595.700 960.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18950.000
3.807680789D+05 0.000000000D+00 1.313799611D+01-7.105650243D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.013964325D+04-5.193401798D+01
960.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18950.000
0.000000000D+00 0.000000000D+00 1.286906865D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.060553468D+04-5.097603343D+01
SnI4(cr) Cubic. Gurvich,1991 pt1 p389 pt2 p331
1 tpis91 SN 1.00I 4.00 0.00 0.00 0.00 1 626.3278800 -207500.000
200.000 418.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 31600.000
1.365815960D+06-2.186441599D+04 1.411768692D+02-3.151970333D-01 2.991203201D-04
0.000000000D+00 0.000000000D+00 7.347422460D+04-7.553382720D+02
SnI4(L) Liquid. Gurvich,1991 pt1 p389 pt2 p331
2 tpis91 SN 1.00I 4.00 0.00 0.00 0.00 2 626.3278800 -207500.000
418.000 580.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 31600.000
3.125499879D+05 0.000000000D+00 2.114568387D+01-5.918328320D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.828678876D+04-7.927900653D+01
580.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 31600.000
0.000000000D+00 0.000000000D+00 1.864210880D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.836905732D+04-6.724586950D+01
SnO(cr) Tetragonal. Gurvich,1991 pt1 p356 pt2 p306.
2 tpis91 SN 1.00O 1.00 0.00 0.00 0.00 1 134.7094000 -280710.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8736.000
0.000000000D+00 0.000000000D+00 7.279467580D-02 3.307685420D-02-4.710942000D-05
0.000000000D+00 0.000000000D+00 -3.483713220D+04-1.306828645D+00
298.150 1250.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8736.000
0.000000000D+00 0.000000000D+00 5.260682830D+00 1.630883840D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.540242040D+04-2.358356588D+01
SnO(L) Liquid. Gurvich,1991 pt1 p356 pt2 p306.
1 tpis91 SN 1.00O 1.00 0.00 0.00 0.00 2 134.7094000 -280710.000
1250.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8736.000
0.000000000D+00 0.000000000D+00 7.577115188D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.369230760D+04-3.539798567D+01
SnO2(cr) Tetragonal. Gurvich,1991 pt1 p361 pt2 p308.
2 tpis91 SN 1.00O 2.00 0.00 0.00 0.00 1 150.7088000 -577630.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8384.000
0.000000000D+00 0.000000000D+00-1.177647966D+00 3.970167880D-02-4.790758920D-05
0.000000000D+00 0.000000000D+00 -7.046277710D+04 2.896556966D+00
298.150 1903.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8384.000
-2.674601390D+05 0.000000000D+00 9.145457760D+00 8.856805753D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.313567410D+04-4.798106778D+01
SnO2(L) Liquid. Gurvich,1991 pt1 p361 pt2 p308.
1 tpis91 SN 1.00O 2.00 0.00 0.00 0.00 2 150.7088000 -577630.000
1903.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8384.000
0.000000000D+00 0.000000000D+00 1.106499361D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.222994130D+04-5.927455845D+01
SnS(cr) Rhombic. Gurvich,1991 pt1 p392 pt2 p333.
2 tpis91 SN 1.00S 1.00 0.00 0.00 0.00 1 150.7750000 -109662.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10530.000
-1.473490121D+04 0.000000000D+00 5.317316410D+00 2.586688381D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.493898062D+04-2.188910671D+01
298.150 875.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10530.000
3.056103126D+04 0.000000000D+00 4.511751143D+00 3.579405160D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.459100103D+04-1.734052255D+01
SnS(cr) Cubic. Gurvich,1991 pt1 p392 pt2 p333.
1 tpis91 SN 1.00S 1.00 0.00 0.00 0.00 2 150.7750000 -109662.000
875.000 1154.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10530.000
0.000000000D+00 0.000000000D+00 4.921516722D+00 1.882251630D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.425419920D+04-1.855922147D+01
SnS(L) Liquid. Gurvich,1991 pt1 p392 pt2 p333.
1 tpis91 SN 1.00S 1.00 0.00 0.00 0.00 3 150.7750000 -109662.000
1154.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10530.000
0.000000000D+00 0.000000000D+00 9.008348057D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.391650549D+04-4.190990669D+01
SnS2(cr) Hexagonal. Gurvich,1991 pt1 p396 pt2 p335.
2 tpis91 SN 1.00S 2.00 0.00 0.00 0.00 1 182.8400000 -141837.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13310.000
-2.817980768D+04 0.000000000D+00 6.586339710D+00 7.259692260D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.943987500D+04-2.933754416D+01
298.150 1143.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13310.000
1.193094963D+04 0.000000000D+00 7.560277154D+00 2.479641013D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.938326475D+04-3.323586315D+01
Sr(a) Alpha. Ref-Elm. Alcock,1993.
2 srd 93 SR 1.00 0.00 0.00 0.00 0.00 1 87.6200000 0.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6558.289
-4.150245670D+03 1.559823384D+02-2.623173257D-01 2.945369354D-02-1.212940361D-04
2.401045642D-07-1.708772572D-10 -1.455791066D+03 3.435106060D+00
298.150 820.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6558.289
1.294412876D+05-1.646179180D+03 1.111114164D+01-1.973737192D-02 2.910871519D-05
-2.163423606D-08 6.508160860D-12 7.160398040D+03-5.671602200D+01
Sr(b) Beta. Ref-Elm. Alcock,1993.
1 srd 93 SR 1.00 0.00 0.00 0.00 0.00 2 87.6200000 0.000
820.000 1041.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6558.289
0.000000000D+00 0.000000000D+00 3.190326309D+00 4.837326553D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.560991280D+02-1.157238431D+01
Sr(L) Liquid. Ref-Elm. Alcock,1993.
1 srd 93 SR 1.00 0.00 0.00 0.00 0.00 3 87.6200000 0.000
1041.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6558.289
0.000000000D+00 0.000000000D+00 4.450051777D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.431940390D+02-1.889703393D+01
SrBr2(a) Alpha,tetragonal. Gurvich,1996a pt1 p523 pt2 p403.
1 tpis96 SR 1.00BR 2.00 0.00 0.00 0.00 1 247.4280000 -722000.000
200.000 918.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18060.499
-1.563862878D+05 2.048387286D+03-2.389924996D+00 3.200996340D-02-4.324517230D-05
3.247344210D-08-9.786717550D-12 -9.941922340D+04 2.897007516D+01
SrBr2(b) Beta. Gurvich,1996a pt1 p523 pt2 p403.
1 tpis96 SR 1.00BR 2.00 0.00 0.00 0.00 2 247.4280000 -722000.000
918.000 930.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18060.499
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -9.021650510D+04-5.212663905D+01
SrBr2(L) Liquid. Gurvich,1996a pt1 p523 pt2 p403.
1 tpis96 SR 1.00BR 2.00 0.00 0.00 0.00 3 247.4280000 -722000.000
930.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18060.499
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.900176120D+04-5.082046285D+01
SrCO3(a) Alpha,rhombic. Gurvich,1996a pt1 p532 pt2 p411.
2 tpis96 SR 1.00C 1.00O 3.00 0.00 0.00 1 147.6289000 -1226000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15120.499
-3.185109310D+07 5.983944250D+05-4.555778730D+03 1.807422903D+01-3.922550990D-02
4.443338240D-05-2.057838162D-08 -2.840270234D+06 2.379927032D+04
500.000 1198.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15120.499
-4.737741611D+05 0.000000000D+00 1.829247905D+01-1.342833192D-02 1.073412624D-05
0.000000000D+00 0.000000000D+00 -1.539939771D+05-9.167197246D+01
SrCO3(b) Beta,rhombic. Gurvich,1996a pt1 p532 pt2 p411.
1 tpis96 SR 1.00C 1.00O 3.00 0.00 0.00 2 147.6289000 -1226000.000
1198.000 1689.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15120.499
0.000000000D+00 0.000000000D+00 1.755966377D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.541962605D+05-9.302015968D+01
SrCO3(c) Gamma,cubic. Gurvich,1996a pt1 p532 pt2 p411.
1 tpis96 SR 1.00C 1.00O 3.00 0.00 0.00 3 147.6289000 -1226000.000
1689.000 1767.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15120.499
0.000000000D+00 0.000000000D+00 1.755966377D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.541962605D+05-9.302015968D+01
SrCO3(L) Liquid. Gurvich,1996a pt1 p532 pt2 p411.
1 tpis96 SR 1.00C 1.00O 3.00 0.00 0.00 4 147.6289000 -1226000.000
1767.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15120.499
0.000000000D+00 0.000000000D+00 1.984482549D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.534232745D+05-1.073837834D+02
SrCL2(a) Alpha,cubic. Gurvich,1996a pt1 p518 pt2 p400.
2 tpis96 SR 1.00CL 2.00 0.00 0.00 0.00 1 158.5260000 -833000.000
200.000 700.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16230.000
-8.219302560D+05 1.414627236D+04-9.066868860D+01 3.537351300D-01-6.601840230D-04
6.294183590D-07-2.405335168D-10 -1.675299882D+05 4.920219760D+02
700.000 990.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16230.000
1.112527665D+09 0.000000000D+00-1.718772952D+04 4.254819093D+01-3.935556431D-02
1.290928281D-05 0.000000000D+00 6.824931370D+06 9.213791630D+04
SrCL2(b) Beta,cubic. Gurvich,1996a pt1 p518 pt2 p400.
1 tpis96 SR 1.00CL 2.00 0.00 0.00 0.00 2 158.5260000 -833000.000
900.000 1147.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16230.000
2.652616089D+08 0.000000000D+00-6.137593196D+02 3.705888862D-01 0.000000000D+00
0.000000000D+00 0.000000000D+00 6.013938810D+05 4.028366895D+03
SrCL2(L) Liquid. Gurvich,1996a pt1 p518 pt2 p400.
1 tpis96 SR 1.00CL 2.00 0.00 0.00 0.00 3 158.5260000 -833000.000
1147.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16230.000
-1.621863465D+06 0.000000000D+00 1.278463794D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.040518221D+05-6.010500872D+01
SrF2(a) Alpha,cubic. Gurvich,1996a pt1 p513 pt2 p396.
2 tpis96 SR 1.00F 2.00 0.00 0.00 0.00 1 125.6168064 -1229000.000
200.000 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13075.000
-1.436181472D+04-3.902704550D+02 9.084528850D+00 4.747017010D-03-9.922331280D-06
1.169135473D-08-4.825603120D-12 -1.484911532D+05-4.433988680D+01
800.000 1484.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13075.000
-1.706744719D+07 2.576630531D+04 3.257893350D+01-3.032276697D-02-2.832102640D-05
2.982419101D-08-2.378577761D-12 -3.511043830D+05-1.514196992D+02
SrF2(b) Beta,cubic. Gurvich,1996a pt1 p513 pt2 p396.
1 tpis96 SR 1.00F 2.00 0.00 0.00 0.00 2 125.6168064 -1229000.000
1484.000 1750.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13075.000
5.274154560D+09-9.287005960D+04-1.188369557D+04 9.829240680D+00-2.277347958D-03
0.000000000D+00 0.000000000D+00 1.339064905D+07 7.586298750D+04
SrF2(L) Liquid. Gurvich,1996a pt1 p515 pt2 p396.
1 tpis96 SR 1.00F 2.00 0.00 0.00 0.00 3 125.6168064 -1229000.000
1750.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13075.000
0.000000000D+00 0.000000000D+00 1.190689530D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.478877648D+05-5.796718683D+01
SrH2(a) Alpha,rhombic. Gurvich,1996a pt1 p501 pt2 p389.
1 tpis96 SR 1.00H 2.00 0.00 0.00 0.00 1 89.6358800 -180000.000
298.000 1128.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8000.499
0.000000000D+00 0.000000000D+00 4.125438541D+00 3.912437414D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.305279501D+04-1.841745147D+01
SrH2(b) Beta. Gurvich,1996a pt1 p501 pt2 p389.
1 tpis96 SR 1.00H 2.00 0.00 0.00 0.00 2 89.6358800 -180000.000
1128.000 1323.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8000.499
0.000000000D+00 0.000000000D+00 8.539288545D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.467660041D+04-4.425795748D+01
SrH2(L) Liquid. Gurvich,1996a pt1 p501 pt2 p389.
1 tpis96 SR 1.00H 2.00 0.00 0.00 0.00 3 89.6358800 -180000.000
1323.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8000.499
0.000000000D+00 0.000000000D+00 9.020375224D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.254682969D+04-4.562495289D+01
SrI2(cr) Rhombic. Gurvich,1996a pt1 p527 pt2 p406.
1 tpis96 SR 1.00I 2.00 0.00 0.00 0.00 1 341.4289400 -568000.000
200.000 811.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18920.499
-8.531836590D+05 1.396294943D+04-8.134381170D+01 2.923620048D-01-4.941293260D-04
4.280629170D-07-1.479234641D-10 -1.358835709D+05 4.559376890D+02
SrI2(L) Liquid. Gurvich,1996a pt1 p527 pt2 p406.
1 tpis96 SR 1.00I 2.00 0.00 0.00 0.00 2 341.4289400 -568000.000
811.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18920.499
0.000000000D+00 0.000000000D+00 1.322988366D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.143040870D+04-5.646969655D+01
SrO(cr) Cubic. Gurvich,1996a pt1 p494 pt2 p383.
3 tpis96 SR 1.00O 1.00 0.00 0.00 0.00 1 103.6194000 -591000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.499
-1.625438799D+06 2.932375088D+04-2.136643281D+02 8.526581540D-01-1.819594223D-03
2.035599655D-06-9.340883290D-10 -2.053069998D+05 1.123784285D+03
500.000 1800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.499
-3.410904551D+04 0.000000000D+00 5.049245235D+00 3.431471007D-03-3.042151612D-06
9.069686608D-10 0.000000000D+00 -7.282782040D+04-2.317163697D+01
1800.000 2805.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.499
-3.971117961D+07 0.000000000D+00 7.850733236D+01-5.336790743D-02 1.125297823D-05
0.000000000D+00 0.000000000D+00 -1.604896850D+05-4.990588969D+02
SrO(L) Liquid. Gurvich,1996a pt1 p494 pt2 p383.
1 tpis96 SR 1.00O 1.00 0.00 0.00 0.00 2 103.6194000 -591000.000
2805.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.499
0.000000000D+00 0.000000000D+00 1.010282025D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.188203330D+04-5.541556063D+01
Sr(OH)2(b) Beta,tetragonal. Gurvich,1996a pt1 p505 pt2 p392.
1 tpis96 SR 1.00O 2.00H 2.00 0.00 0.00 1 121.6346800 -964300.000
200.000 753.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15272.499
5.749774650D+05-9.564782420D+03 6.310466570D+01-1.470270543D-01 2.468488663D-04
-2.041763520D-07 6.865596260D-11 -7.364279180D+04-3.424340180D+02
Sr(OH)2(a) Alpha. Gurvich,1996a pt1 p505 pt2 p392.
1 tpis96 SR 1.00O 2.00H 2.00 0.00 0.00 2 121.6346800 -964300.000
753.000 808.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15272.499
0.000000000D+00 0.000000000D+00 1.563531705D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.216576455D+05-8.006737394D+01
Sr(OH)2(L) Liquid. Gurvich,1996a pt1 p505 pt2 p392.
1 tpis96 SR 1.00O 2.00H 2.00 0.00 0.00 3 121.6346800 -964300.000
808.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 15272.499
0.000000000D+00 0.000000000D+00 1.840156546D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.211265258D+05-9.516262078D+01
SrS(cr) Cubic. Gurvich,1996a pt1 p528 pt2 p408.
2 tpis96 SR 1.00S 1.00 0.00 0.00 0.00 1 119.6850000 -480000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10040.499
2.688173776D+06-5.010846740D+04 3.813026790D+02-1.462623236D+00 3.138875273D-03
-3.522660370D-06 1.619531388D-09 1.665724752D+05-1.992760719D+03
500.000 2500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10040.499
-1.221960164D+04 0.000000000D+00 5.716873273D+00 9.316243531D-04 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.951728090D+04-2.471633956D+01
SrS(L) Liquid. Gurvich,1996a pt1 p528 pt2 p408.
1 tpis96 SR 1.00S 1.00 0.00 0.00 0.00 2 119.6850000 -480000.000
2500.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 10040.499
0.000000000D+00 0.000000000D+00 8.058201866D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.487727330D+04-3.767411768D+01
SrS04(a) Alpha,Rhombic. Gurvich,1996a pt1 p531 pt2 p410.
1 tpis96 SR 1.00S 1.00O 4.00 0.00 0.00 1 183.6826000 -1457000.000
298.150 1430.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18400.499
-2.524863161D+05 0.000000000D+00 1.319271972D+01 6.424070691D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.803016041D+05-6.394942426D+01
SrS04(b) Beta,hexagonal. Gurvich,1996a pt1 p531 pt2 p410.
1 tpis96 SR 1.00S 1.00O 4.00 0.00 0.00 2 183.6826000 -1457000.000
1430.000 1880.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18400.499
0.000000000D+00 0.000000000D+00 2.044618384D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.827264862D+05-1.065597408D+02
SrS04(L) Liquid. Gurvich,1996a pt1 p531 pt2 p410.
1 tpis96 SR 1.00S 1.00O 4.00 0.00 0.00 3 183.6826000 -1457000.000
1880.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18400.499
0.000000000D+00 0.000000000D+00 2.044618384D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.783967061D+05-1.042566663D+02
Ta(cr) Crystal. Ref-Elm. Chase,1998 pp1899-1901.
3 j12/72 TA 1.00 0.00 0.00 0.00 0.00 1 180.9479000 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5681.000
1.519941999D+04-4.927143830D+02 6.855605760D+00-1.366625579D-02 2.561466303D-05
-2.235631116D-08 7.389831320D-12 1.236077891D+03-3.252075490D+01
1000.000 2000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5681.000
-1.002219854D+08 4.696591430D+05-8.992639340D+02 9.084714280D-01-5.043323480D-04
1.463919859D-07-1.734426993D-11 -2.762235634D+06 5.939534460D+03
2000.000 3258.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5681.000
3.305034810D+05 8.564351680D+01-1.797593491D+00 6.549784340D-03-2.878793550D-06
4.952725110D-10-7.703452530D-15 1.556933077D+03 1.641047132D+01
Ta(L) Liquid. Ref-Elm. Chase,1998 pp1899-1901.
1 j12/72 TA 1.00 0.00 0.00 0.00 0.00 2 180.9479000 0.000
3258.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5681.000
0.000000000D+00 0.000000000D+00 5.032166658D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.436042760D+02-2.597362534D+01
TaC(cr) Chase,1998 pp652-4.
2 j12/73 TA 1.00C 1.00 0.00 0.00 0.00 1 192.9586000 -144096.960
200.000 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6514.488
-1.182153887D+04 2.152843262D+02-1.710781252D+00 3.226351270D-02-6.059170690D-05
5.540177420D-08-1.961814434D-11 -1.908587628D+04 8.122034510D+00
800.000 4273.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6514.488
-1.540090534D+05 2.156690707D+02 5.001633620D+00 1.161840292D-03-1.062186764D-07
2.082367078D-11-1.580991193D-15 -2.062101769D+04-2.388952788D+01
TaC(L) Chase,1998 pp652-4.
1 j12/73 TA 1.00C 1.00 0.00 0.00 0.00 2 192.9586000 -144096.960
4273.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6514.488
0.000000000D+00 0.000000000D+00 8.051466653D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.010399602D+04-4.208381497D+01
Ta2O5(II) Rhombic. Gurvich,1982 pt1 p91 pt2 p92.
2 tpis82 TA 2.00O 5.00 0.00 0.00 0.00 1 441.8928000 -2049000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22950.000
-3.279677980D+06 6.126833460D+04-4.710233330D+02 1.998455231D+00-4.425553760D-03
5.098341430D-06-2.392974558D-09 -5.247547580D+05 2.448363106D+03
500.000 1633.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22950.000
-2.735481912D+05 0.000000000D+00 1.819193368D+01 3.735655440D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.529440756D+05-8.923622860D+01
Ta2O5(I) Monoclinic. Gurvich,1982 pt1 p91 pt2 p92.
1 tpis82 TA 2.00O 5.00 0.00 0.00 0.00 2 441.8928000 -2049000.000
1633.000 2150.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22950.000
0.000000000D+00 0.000000000D+00 2.525705063D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.590924400D+05-1.352062771D+02
Ta2O5(L) Liquid. Gurvich,1982 pt1 p91 pt2 p92.
1 tpis82 TA 2.00O 5.00 0.00 0.00 0.00 3 441.8928000 -2049000.000
2150.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22950.000
0.000000000D+00 0.000000000D+00 2.645976732D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.472456805D+05-1.377221533D+02
Th(a) Alpha. Ref-Elm. Cox,1989 p239.
1 coda89 TH 1.00 0.00 0.00 0.00 0.00 1 232.0381000 0.000
200.000 1650.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6350.000
-1.453247151D+04 1.505222433D+02 2.270694767D+00 2.058614354D-03-9.216614670D-07
4.316796340D-10-7.950656800D-14 -1.667536353D+03-6.857176980D+00
Th(b) Beta. Ref-Elm. Cox,1989 p239.
1 coda89 TH 1.00 0.00 0.00 0.00 0.00 2 232.0381000 0.000
1650.000 2023.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6350.000
8.360316570D+06-2.333327743D+04 2.783594798D+01-1.293559561D-02 3.966098040D-06
-4.361984440D-10 0.000000000D+00 1.501326293D+05-1.894583434D+02
Th(L) Liquid. Ref-Elm. Cox,1989 p239.
1 coda89 TH 1.00 0.00 0.00 0.00 0.00 3 232.0381000 0.000
2023.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6350.000
0.000000000D+00 0.000000000D+00 5.532496804D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.191824935D+03-2.760071917D+01
Ti(a) Alpha. Ref-Elm. Cox,1989 p230.
2 coda89 TI 1.00 0.00 0.00 0.00 0.00 1 47.8670000 0.000
200.000 900.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4824.000
3.598601350D+04-8.272305960D+02 7.689097770D+00-1.143968449D-02 1.392105464D-05
-4.691057160D-09-9.852130400D-13 2.936621421D+03-3.985138010D+01
900.000 1156.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4824.000
-2.876235910D+06 0.000000000D+00 4.573153420D+01-7.692381600D-02 3.799919490D-05
0.000000000D+00 0.000000000D+00 -2.038023972D+04-2.516270281D+02
Ti(b) Beta. Ref-Elm. Cox,1989 p230.
1 coda89 TI 1.00 0.00 0.00 0.00 0.00 2 47.8670000 0.000
1156.000 1944.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4824.000
-1.698740574D+06 6.576601240D+03-8.556182950D+00 9.789585830D-03-3.992418760D-06
1.123642773D-09-1.201048055D-13 -3.929918290D+04 6.506590190D+01
Ti(L) Liquid. Ref-Elm. Cox,1989 p230.
1 coda89 TI 1.00 0.00 0.00 0.00 0.00 3 47.8670000 0.000
1944.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4824.000
0.000000000D+00 0.000000000D+00 5.628714139D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.377354619D+03-3.079443471D+01
TiB(cr) Crystal. Chase,1998. p258.
2 j 6/65 TI 1.00B 1.00 0.00 0.00 0.00 1 58.6780000 -160247.000
298.150 1100.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
5.892962460D+05-7.628387170D+03 3.264504220D+01-4.438679670D-02 4.037756110D-05
-1.901806786D-08 3.662438970D-12 1.808566462D+04-1.924926707D+02
1100.000 4000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
9.736238960D+05-2.744306202D+03 9.195602010D+00-1.636706129D-03 5.676930840D-07
-9.258425040D-11 6.105669480D-15 -3.925082340D+03-5.367424570D+01
TiB2(cr) Crystal. Chase,1998 pp276-8.
2 j 6/65 TI 1.00B 2.00 0.00 0.00 0.00 1 69.4890000 -279491.000
200.000 2300.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5577.000
2.701885716D+05-3.989107020D+03 1.904595810D+01-1.467951261D-02 1.249126541D-05
-4.481179720D-09 5.932523160D-13 -1.510818691D+04-1.130901290D+02
2300.000 3193.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5577.000
2.449855642D+10-5.420046130D+07 4.984385950D+04-2.437314870D+01 6.688502930D-03
-9.763538800D-07 5.923249200D-11 3.589528270D+08-3.651406280D+05
TiB2(L) Liquid. Chase,1998 pp276-8.
1 j 6/65 TI 1.00B 2.00 0.00 0.00 0.00 2 69.4890000 -279491.000
3193.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5577.000
0.000000000D+00 0.000000000D+00 1.308363331D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.298172270D+04-7.649131141D+01
TiC(cr) Chase,1998 p655-7
2 j 6/68 TI 1.00C 1.00 0.00 0.00 0.00 1 59.8777000 -184096.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4606.584
-2.936209453D+05 4.040416860D+03-2.309999326D+01 8.695403030D-02-1.254447445D-04
8.803423830D-08-2.403516957D-11 -4.217890880D+04 1.253486677D+02
1000.000 3290.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4606.584
-3.586824960D+05 1.130360992D+03 4.571181220D+00 4.332844010D-04 4.730133770D-07
-1.025727737D-10 8.572441560D-15 -3.129994969D+04-2.180975207D+01
TiC(L) Chase,1998 p655-7
1 j 6/68 TI 1.00C 1.00 0.00 0.00 0.00 2 59.8777000 -184096.000
3290.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4606.584
0.000000000D+00 0.000000000D+00 7.548249987D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.766010062D+04-4.062778302D+01
TiCL2(cr) Chase,1998 p865.
2 j12/68 TI 1.00CL 2.00 0.00 0.00 0.00 1 118.7730000 -515470.000
200.000 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13300.936
6.275502170D+05-1.149039253D+04 8.470916630D+01-2.539508065D-01 4.582690050D-04
-4.167293950D-07 1.508542615D-10 -1.168917881D+04-4.484122170D+02
800.000 2000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13300.936
3.621030580D+06-1.684661798D+04 4.010076440D+01-2.963515568D-02 1.756075169D-05
-5.065847400D-09 5.988802280D-13 3.466967030D+04-2.478759697D+02
TiCL3(cr) Chase,1998 p886.
1 j12/68 TI 1.00CL 3.00 0.00 0.00 0.00 1 154.2260000 -721740.000
298.150 1500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 20920.000
1.457928527D+05-1.355589207D+03 1.563840194D+01-4.771661650D-03 4.776265870D-06
-1.901286451D-09 3.011222662D-13 -8.308136940D+04-7.479338350D+01
TiCL4(L) Chase,1998 p904.
2 j12/67 TI 1.00CL 4.00 0.00 0.00 0.00 1 189.6790000 -804164.800
249.046 700.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26963.000
1.179781205D+06-1.710994382D+04 1.180652525D+02-3.089428313D-01 5.234695800D-04
-4.608788890D-07 1.654264781D-10 -2.053742284D+04-6.204956050D+02
700.000 2000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26963.000
0.000000000D+00 0.000000000D+00 1.714255083D+01 1.093131841D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.018779486D+05-6.764318260D+01
TiN(cr) Chase,1998 pp1612-4.
2 j 6/68 TI 1.00N 1.00 0.00 0.00 0.00 1 61.8737000 -337648.800
200.000 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5487.000
-5.479117220D+05 9.328691110D+03-6.386263890D+01 2.429925456D-01-4.304234520D-04
3.792645100D-07-1.317412256D-10 -8.424256140D+04 3.392988560D+02
800.000 3220.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5487.000
-3.656247060D+05 1.265730431D+03 3.831711190D+00 1.632900455D-03-1.062786626D-07
1.310931390D-11-5.770548410D-16 -5.027654400D+04-1.652632899D+01
TiN(L) Chase,1998 pp1612-4.
1 j 6/68 TI 1.00N 1.00 0.00 0.00 0.00 2 61.8737000 -337648.800
3220.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5487.000
0.000000000D+00 0.000000000D+00 7.548249987D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.626039860D+04-3.958296649D+01
TiO(a) Alpha,monoclinic. Gurvich,1982 pt1 p98 pt2 p99.
2 tpis82 TI 1.00O 1.00 0.00 0.00 0.00 1 63.8664000 -542000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6175.000
-1.126115023D+07 2.107240660D+05-1.601946203D+03 6.360717840D+00-1.380180278D-02
1.563169158D-05-7.238514780D-09 -1.014208223D+06 8.368056830D+03
500.000 1265.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6175.000
-2.066517895D+05 0.000000000D+00 8.243115270D+00-4.896702160D-03 3.806679150D-06
0.000000000D+00 0.000000000D+00 -6.815384410D+04-4.265310470D+01
TiO(b) Beta,cubic. Gurvich,1982 pt1 p98 pt2 p99.
1 tpis82 TI 1.00O 1.00 0.00 0.00 0.00 2 63.8664000 -542000.000
1265.000 1810.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6175.000
-1.400082506D+05 0.000000000D+00 6.173304260D+00 1.455287203D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.756357790D+04-3.249519859D+01
TiO(c) Gamma,cubic. Gurvich,1982 pt1 p98 pt2 p99.
1 tpis82 TI 1.00O 1.00 0.00 0.00 0.00 3 63.8664000 -542000.000
1810.000 2030.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6175.000
2.080459342D+05 0.000000000D+00 5.795530945D+00 1.404532558D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.627964090D+04-2.933709305D+01
TiO(L) Liquid. Gurvich,1982 pt1 p98 pt2 p99.
1 tpis82 TI 1.00O 1.00 0.00 0.00 0.00 4 63.8664000 -542000.000
2030.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6175.000
0.000000000D+00 0.000000000D+00 8.419016875D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -6.314903830D+04-4.370051573D+01
TiO2(cr) Rutile,tetragonal. Gurvich,1982 pt1 p105 pt2 p105.
2 tpis82 TI 1.00O 2.00 0.00 0.00 0.00 1 79.8658000 -944000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.000
1.712264157D+07-2.997059314D+05 2.143439285D+03-7.997230440D+00 1.661745261D-02
-1.817331921D-05 8.179403360D-09 1.253121023D+06-1.132509587D+04
500.000 2185.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.000
-1.244201863D+05 0.000000000D+00 7.600577340D+00 1.421666301D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.162831515D+05-3.834053430D+01
TiO2(L) Liquid. Gurvich,1982 pt1 p105 pt2 p105.
1 tpis82 TI 1.00O 2.00 0.00 0.00 0.00 2 79.8658000 -944000.000
2185.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8680.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.143261561D+05-6.551584491D+01
Ti2O3(I) Hexagonal. Gurvich,1982 pt1 p109 pt2 p108.
2 tpis82 TI 2.00O 3.00 0.00 0.00 0.00 1 143.7322000 -1520000.000
200.000 400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14090.000
-1.771212920D+06 2.344459434D+04-1.110358342D+02 2.714352074D-01-1.921153675D-04
0.000000000D+00 0.000000000D+00 -2.995932792D+05 6.382146810D+02
400.000 464.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14090.000
0.000000000D+00 0.000000000D+00 5.692590423D+01-2.558542837D-01 3.734811793D-04
0.000000000D+00 0.000000000D+00 -1.917653868D+05-2.555304929D+02
Ti2O3(I') Hexagonal. Gurvich,1982 pt1 p109 pt2 p108.
2 tpis82 TI 2.00O 3.00 0.00 0.00 0.00 2 143.7322000 -1520000.000
464.000 580.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14090.000
0.000000000D+00 0.000000000D+00 9.288208205D+01-2.728212486D-01 2.430399386D-04
0.000000000D+00 0.000000000D+00 -2.022790157D+05-4.543828632D+02
580.000 2110.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14090.000
4.228751905D+05 0.000000000D+00 1.281963700D+01 4.013104801D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.858705711D+05-6.399935229D+01
Ti2O3(L) Liquid. Gurvich,1982 pt1 p109 pt2 p108.
1 tpis82 TI 2.00O 3.00 0.00 0.00 0.00 3 143.7322000 -1520000.000
2110.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14090.000
0.000000000D+00 0.000000000D+00 2.044618384D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.821646342D+05-1.087120898D+02
Ti3O5(a) Alpha,monoclinic. Gurvich,1982 pt1 p111 pt2 p110.
2 tpis82 TI 3.00O 5.00 0.00 0.00 0.00 1 223.5980000 -2457000.000
200.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22630.000
0.000000000D+00 0.000000000D+00 4.315304530D+00 4.637018750D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.988551027D+05-2.323385163D+01
298.150 448.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22630.000
-2.175887695D+07 0.000000000D+00 1.012212506D+03-3.624156324D+00 3.726318087D-03
0.000000000D+00 0.000000000D+00 -5.421167010D+05-4.959468179D+03
Ti3O5(b) Beta,rhombic. Gurvich,1982 pt1 p111 pt2 p110.
1 tpis82 TI 3.00O 5.00 0.00 0.00 0.00 2 223.5980000 -2457000.000
448.000 2050.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22630.000
0.000000000D+00 0.000000000D+00 2.020131072D+01 5.124775844D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.004933224D+05-9.863577455D+01
Ti3O5(L) Liquid. Gurvich,1982 pt1 p111 pt2 p110.
1 tpis82 TI 3.00O 5.00 0.00 0.00 0.00 3 223.5980000 -2457000.000
2050.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22630.000
0.000000000D+00 0.000000000D+00 3.127063411D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.923316313D+05-1.627424211D+02
Ti4O7(cr) Triclinic. Gurvich,1982 pt1 p112 pt2 p111.
2 tpis82 TI 4.00O 7.00 0.00 0.00 0.00 1 303.4638000 -3403000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 35630.000
4.558528430D+06-8.146955640D+04 5.758643730D+02-1.933194123D+00 3.842536530D-03
-4.030781120D-06 1.748510017D-09 -4.239230760D+04-3.066670887D+03
500.000 1960.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 35630.000
-4.675287930D+05 0.000000000D+00 2.961388604D+01 5.773820220D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.199386150D+05-1.488468383D+02
Ti4O7(L) Liquid. Gurvich,1982 pt1 p112 pt2 p111.
1 tpis82 TI 4.00O 7.00 0.00 0.00 0.00 2 303.4638000 -3403000.000
1960.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 35630.000
0.000000000D+00 0.000000000D+00 4.353834441D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.142527640D+05-2.319810806D+02
U(a) Alpha. Ref-Elm. Cox,1989 p234.
1 coda89 U 1.00 0.00 0.00 0.00 0.00 1 238.0289100 0.000
200.000 942.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6364.000
-1.540899462D+04 2.318801962D+02 1.227944510D+00 7.136117480D-03-1.018038579D-05
1.136884370D-08-3.669367430D-12 -1.986921870D+03-2.035974193D+00
U(b) Beta. Ref-Elm. Cox,1989 p234.
1 coda89 U 1.00 0.00 0.00 0.00 0.00 2 238.0289100 0.000
942.000 1049.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6364.000
0.000000000D+00 0.000000000D+00 5.099518793D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.672080149D+03-2.378030116D+01
U(c) Gamma. Ref-Elm. Cox,1989 p234.
1 coda89 U 1.00 0.00 0.00 0.00 0.00 3 238.0289100 0.000
1049.000 1408.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6364.000
0.000000000D+00 0.000000000D+00 4.606404947D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.859187270D+02-1.980809042D+01
U(L) Liquid. Ref-Elm. Cox,1989 p234.
1 coda89 U 1.00 0.00 0.00 0.00 0.00 4 238.0289100 0.000
1408.000 4000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6364.000
-9.466562120D+04 8.526619680D+02 4.209128020D+00 8.407200810D-04-1.309545676D-07
1.985020032D-11-1.231574075D-15 -5.956398090D+03-1.667247672D+01
UF3(cr) Hexagonal. Gurvich,1982 pt1 p209 pt2 p236.
1 tpis82 U 1.00F 3.00 0.00 0.00 0.00 1 295.0241196 -1508700.000
298.150 1768.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18380.000
-1.245413139D+05 0.000000000D+00 1.281362341D+01 8.479152710D-05 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.856957321D+05-5.889112439D+01
UF3(L) Liquid. Gurvich,1982 pt1 p209 pt2 p236.
1 tpis82 U 1.00F 3.00 0.00 0.00 0.00 2 295.0241196 -1508700.000
1768.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18380.000
0.000000000D+00 0.000000000D+00 1.611640373D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.869060867D+05-8.091478353D+01
UF4(cr) Monoclinic. Gurvich,1982 pt1 p212 pt2 p243.
2 tpis82 U 1.00F 4.00 0.00 0.00 0.00 1 314.0225228 -1920500.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22550.000
-1.900846659D+06 3.555369140D+04-2.684351890D+02 1.162227739D+00-2.589319495D-03
2.991673531D-06-1.405949560D-09 -3.939232500D+05 1.401148993D+03
500.000 1309.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22550.000
-1.687548936D+05 0.000000000D+00 1.670280525D+01-3.858715240D-03 3.366874970D-06
0.000000000D+00 0.000000000D+00 -2.363858828D+05-7.687256170D+01
UF4(L) Liquid. Gurvich,1982 pt1 p212 pt2 p243.
1 tpis82 U 1.00F 4.00 0.00 0.00 0.00 2 314.0225228 -1920500.000
1309.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22550.000
0.000000000D+00 0.000000000D+00 2.008536883D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.358206485D+05-9.894817389D+01
UF5(b) Beta,tetragonal. Gurvich,1982 pt1 p217 pt2 p250.
1 tpis82 U 1.00F 5.00 0.00 0.00 0.00 1 333.0209260 -2083000.000
298.150 398.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26150.000
-2.315229641D+04 0.000000000D+00 1.505308190D+01 3.633166597D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.552530997D+05-6.539107895D+01
UF5(a) Alpha,tetragonal. Gurvich,1982 pt1 p217 pt2 p250.
1 tpis82 U 1.00F 5.00 0.00 0.00 0.00 2 333.0209260 -2083000.000
398.000 621.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26150.000
-2.315229641D+04 0.000000000D+00 1.505308190D+01 3.633166597D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.542909264D+05-6.297355795D+01
UF5(L) Liquid. Gurvich,1982 pt1 p217 pt2 p250.
1 tpis82 U 1.00F 5.00 0.00 0.00 0.00 3 333.0209260 -2083000.000
621.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 26150.000
0.000000000D+00 0.000000000D+00 2.008536883D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.524686368D+05-8.627305038D+01
UF6(cr) Rhombic. Gurvich,1982 pt1 p222 pt2 p532.
1 tpis82 U 1.00F 6.00 0.00 0.00 0.00 1 352.0193292 -2197700.000
100.000 337.2107 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 31565.000
1.490516238D+05-4.412150490D+03 5.041684430D+01-1.195638409D-01 2.070807828D-04
0.000000000D+00 0.000000000D+00 -2.502294955D+05-2.473731136D+02
UF6(L) Liquid. Gurvich,1982 pt1 p222 pt2 p532.
1 tpis82 U 1.00F 6.00 0.00 0.00 0.00 2 352.0193292 -2197700.000
337.210 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 31565.000
0.000000000D+00 0.000000000D+00 1.750554152D+01 1.611640373D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.680142931D+05-7.051080543D+01
UO2(cr) Cubic. Gurvich,1982 pt1 p190 pt2 p209.
2 tpis82 U 1.00O 2.00 0.00 0.00 0.00 1 270.0277100 -1085000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11280.000
-1.712140039D+07 3.206174610D+05-2.435851508D+03 9.665099460D+00-2.095506138D-02
2.371859464D-05-1.097936236D-08 -1.574556829D+06 1.272869884D+04
500.000 3123.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11280.000
-2.775509993D+05 0.000000000D+00 1.161094006D+01-3.430918270D-03 2.044412020D-06
0.000000000D+00 0.000000000D+00 -1.347529024D+05-5.751912860D+01
UO2(L) Liquid. Gurvich,1982 pt1 p190 pt2 p209.
1 tpis82 U 1.00O 2.00 0.00 0.00 0.00 2 270.0277100 -1085000.000
3123.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 11280.000
0.000000000D+00 0.000000000D+00 1.575558872D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.342007409D+05-8.859616713D+01
UO2F2(cr) Hexagonal. Gurvich,1982 pt1 p227 pt2 p262.
2 tpis82 U 1.00O 2.00F 2.00 0.00 0.00 1 308.0245164 -1653600.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19700.000
2.774535231D+06-5.047416500D+04 3.733097480D+02-1.349660046D+00 2.816624451D-03
-3.086048235D-06 1.391361959D-09 2.724906305D+04-1.962630228D+03
500.000 2100.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 19700.000
-1.227714401D+05 0.000000000D+00 1.277741930D+01 3.406816370D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.032540376D+05-5.821006900D+01
UO3(c) Gamma,monoclinic. Gurvich,1982 pt1 p195 pt2 p217.
2 tpis82 U 1.00O 3.00 0.00 0.00 0.00 1 286.0271100 -1223800.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14585.000
-1.956676511D+06 3.951756640D+04-3.223198540D+02 1.417862899D+00-3.236211090D-03
3.806716410D-06-1.814492554D-09 -3.239008630D+05 1.660601808D+03
500.000 3000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 14585.000
-2.090516805D+05 0.000000000D+00 1.271766576D+01-2.508681376D-03 2.295592116D-06
0.000000000D+00 0.000000000D+00 -1.515901509D+05-6.143076620D+01
U3O8(II) Rhombic. Gurvich,1982 pt1 p199 pt2 p222.
2 tpis82 U 3.00O 8.00 0.00 0.00 0.00 1 842.0819300 -3574800.000
200.000 300.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 42740.000
-1.312654971D+05 0.000000000D+00 1.981648464D+01 3.463180280D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.378350230D+05-8.998750380D+01
300.000 483.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 42740.000
-2.819324251D+06 0.000000000D+00 1.227600892D+02-2.415563843D-01 0.000000000D+00
3.622285580D-07 0.000000000D+00 -4.659833440D+05-6.124926920D+02
U3O8(I) Hexagonal. Gurvich,1982 pt1 p199 pt2 p222.
1 tpis82 U 3.00O 8.00 0.00 0.00 0.00 2 842.0819300 -3574800.000
483.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 42740.000
-5.848811295D+04 0.000000000D+00 2.988522475D+01 6.597141623D-03-4.626851131D-07
0.000000000D+00 0.000000000D+00 -4.394086740D+05-1.388063306D+02
U4O9(III) Cubic. Gurvich,1982 pt1 p201 pt2 p223.
1 tpis82 U 4.00O 9.00 0.00 0.00 0.00 1 1096.1102400 -4512000.000
298.150 348.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 50750.000
-1.274607283D+08 0.000000000D+00 6.797154853D+03-2.205931654D+01 0.000000000D+00
4.712462238D-05 0.000000000D+00 -2.109373967D+06-3.324352924D+04
U4O9(II) Cubic. Gurvich,1982 pt1 p201 pt2 p223.
2 tpis82 U 4.00O 9.00 0.00 0.00 0.00 2 1096.1102400 -4512000.000
348.000 380.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 50750.000
6.572378889D+07 0.000000000D+00-1.352246013D+03 2.459469770D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.013155679D+04 7.375484389D+03
380.000 1398.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 50750.000
-7.968840016D+05 0.000000000D+00 4.574063896D+01-1.083792070D-02 9.691491140D-06
0.000000000D+00 0.000000000D+00 -5.582419360D+05-2.211132773D+02
U4O9(I) Gurvich,1982 pt1 p201 pt2 p223.
1 tpis82 U 4.00O 9.00 0.00 0.00 0.00 3 1096.1102400 -4512000.000
1398.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 50750.000
-3.094590060D+05 0.000000000D+00 3.592971805D+01 1.009247689D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.555228520D+05-1.695188988D+02
V(cr) Crystal. Ref-Elm. Chase,1998 p1917.
3 j 6/73 V 1.00 0.00 0.00 0.00 0.00 1 50.9415000 0.000
200.000 600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4640.000
2.845125913D+05-5.094932860D+03 3.715018720D+01-1.176030941D-01 2.255823526D-04
-2.260642686D-07 9.289596800D-11 2.254378204D+04-1.968241679D+02
600.000 1400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4640.000
1.372056465D+06-7.847553620D+03 2.095142247D+01-2.055640932D-02 1.323266530D-05
-4.042182900D-09 5.087521100D-13 4.374800000D+04-1.292763446D+02
1400.000 2190.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4640.000
5.281067680D+08-1.907420191D+06 2.862656637D+03-2.277492896D+00 1.017078880D-03
-2.412149691D-07 2.377114537D-11 1.169890783D+07-1.956716732D+04
V(L) Liquid. Ref-Elm. Chase,1998 p1917.
1 j 6/73 V 1.00 0.00 0.00 0.00 0.00 2 50.9415000 0.000
2190.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4640.000
0.000000000D+00 0.000000000D+00 5.557032224D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.899700630D+03-3.070532450D+01
VCL2(cr) Pankratz,1984.
1 g10/00 V 1.00CL 2.00 0.00 0.00 0.00 1 121.8475000 -451872.000
298.000 1300.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-3.844575327D+04 0.000000000D+00 8.648281619D+00 1.435173931D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.711862150D+04-3.824393774D+01
VCL3(cr) Pankratz,1984.
1 g 8/00 V 1.00CL 3.00 0.00 0.00 0.00 1 157.3005000 -581115.760
298.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-1.163436931D+05 0.000000000D+00 1.218941730D+01 1.091980165D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.396479110D+04-5.467967609D+01
VN(cr) Chase,1998 p1635.
2 j12/73 V 1.00N 1.00 0.00 0.00 0.00 1 64.9482000 -217150.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6225.792
2.091900078D+05-3.051142421D+03 1.689002455D+01-2.016563261D-02 2.024805796D-05
-9.052281300D-09 1.375923345D-12 -1.233229950D+04-9.561817060D+01
1000.000 3500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6225.792
8.212748990D+05-2.203406736D+03 6.907596040D+00 1.164274622D-03-3.307430080D-07
1.061954757D-10-1.105176783D-14 -1.341131421D+04-3.925480780D+01
VO(cr) Cubic Gurvich,1982 pt1 p60 pt2 p63.
2 tpis82 V 1.00O 1.00 0.00 0.00 0.00 1 66.9409000 -430800.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5980.000
-2.040260824D+07 3.783102280D+05-2.848005957D+03 1.118080448D+01-2.407270159D-02
2.710471323D-05-1.249526447D-08 -1.758506851D+06 1.490654242D+04
500.000 2063.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5980.000
-1.970015037D+05 0.000000000D+00 6.365723760D+00 1.576630310D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -5.444168120D+04-3.381741570D+01
VO(L) Liquid Gurvich,1982 pt1 p60 pt2 p63.
1 tpis82 V 1.00O 1.00 0.00 0.00 0.00 2 66.9409000 -430800.000
2063.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5980.000
0.000000000D+00 0.000000000D+00 8.419016875D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.921350390D+04-4.329727468D+01
V2O3(cr) Hexagonal. Gurvich,1982 pt1 p65 pt2 p67.
2 tpis82 V 2.00O 3.00 0.00 0.00 0.00 1 149.8812000 -1216800.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17130.000
-2.445935804D+07 4.555627240D+05-3.448966200D+03 1.365879117D+01-2.955666350D-02
3.340613030D-05-1.544661718D-08 -2.200372063D+06 1.802928653D+04
500.000 2230.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17130.000
-4.148342860D+05 0.000000000D+00 1.735995875D+01-2.248234102D-03 1.310940149D-06
0.000000000D+00 0.000000000D+00 -1.528252156D+05-8.926688900D+01
V2O3(L) Liquid. Gurvich,1982 pt1 p65 pt2 p67.
1 tpis82 V 2.00O 3.00 0.00 0.00 0.00 2 149.8812000 -1216800.000
2230.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17130.000
0.000000000D+00 0.000000000D+00 1.924346714D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.407455834D+05-9.794985841D+01
V2O4(II) Monoclinic. Gurvich,1982 pt1 p67 pt2 p68.
1 tpis82 V 2.00O 4.00 0.00 0.00 0.00 1 165.8806000 -1432600.000
200.000 338.7007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16720.000
-4.872822280D+05 0.000000000D+00 4.755837160D+01-1.909710602D-01 3.188918050D-04
0.000000000D+00 0.000000000D+00 -1.824442970D+05-2.197380006D+02
V2O4(I) Tetragonal. Gurvich,1982 pt1 p67 pt2 p68.
1 tpis82 V 2.00O 4.00 0.00 0.00 0.00 2 165.8806000 -1432600.000
338.700 1818.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16720.000
-3.456246971D+05 0.000000000D+00 1.740258897D+01 2.292498295D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.776670154D+05-8.737764367D+01
V2O4(L) Liquid. Gurvich,1982 pt1 p67 pt2 p68.
1 tpis82 V 2.00O 4.00 0.00 0.00 0.00 3 165.8806000 -1432600.000
1818.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 16720.000
0.000000000D+00 0.000000000D+00 2.164890054D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.679377747D+05-1.076187785D+02
V2O5(cr) Rhombic. Gurvich,1982 pt1 p68 pt2 p69.
2 tpis82 V 2.00O 5.00 0.00 0.00 0.00 1 181.8800000 -1551000.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21210.000
-1.149585895D+07 2.200852292D+05-1.711429444D+03 6.997610220D+00-1.543892990D-02
1.771425949D-05-8.283987620D-09 -1.174509299D+06 8.899979010D+03
500.000 954.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21210.000
-4.708328420D+05 0.000000000D+00 2.297387367D+01-1.118831481D-02 1.146815480D-05
0.000000000D+00 0.000000000D+00 -1.945738450D+05-1.150219507D+02
V2O5(L) Liquid. Gurvich,1982 pt1 p68 pt2 p69.
1 tpis82 V 2.00O 5.00 0.00 0.00 0.00 2 181.8800000 -1551000.000
954.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 21210.000
0.000000000D+00 0.000000000D+00 2.285161723D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.880385445D+05-1.113109611D+02
W(cr) Crystal. Ref-Elm. Chase,1998 pp1925-8.
4 j 6/66 W 1.00 0.00 0.00 0.00 0.00 1 183.8400000 0.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4973.000
-6.824541400D+03-2.254249090D+02 4.976604610D+00-6.926436340D-03 1.202272986D-05
-9.344133510D-09 2.818887123D-12 -3.510679270D+00-2.361334984D+01
1000.000 2600.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4973.000
5.530134840D+05-2.041485344D+03 5.870839470D+00-1.920714198D-03 1.067652983D-06
-2.355109022D-10 2.160679310D-14 1.163812518D+04-3.319171800D+01
2600.000 3200.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4973.000
2.474736879D+09 4.488921620D+06-1.235978300D+04 9.678565660D+00-3.556364610D-03
6.380420610D-07-4.521123450D-11 -2.029500909D+07 8.274369690D+04
3200.000 3680.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4973.000
-1.755550399D+10 1.179059156D+07 1.177715365D+03-2.675166841D+00 7.252172480D-04
-6.128007580D-08 0.000000000D+00 -9.702249190D+07-1.148926234D+03
W(L) Liquid. Ref-Elm. Chase,1998 pp1925-8.
1 j 6/66 W 1.00 0.00 0.00 0.00 0.00 2 183.8400000 0.000
3680.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 4973.000
0.000000000D+00 0.000000000D+00 4.277341659D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 2.755443078D+03-2.086449853D+01
WC(cr) Hf:Wagman,1982 p203. Barin,1989 pt2 p1642.
1 bar 89 W 1.00C 1.00 0.00 0.00 0.00 1 195.8507000 -40540.000
298.150 2500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-1.119754391D+05-5.553268210D-01 5.217965240D+00 1.037888263D-03-1.229060652D-07
2.880427321D-13-7.236307119D-17 -6.848998700D+03-2.677066218D+01
WCL6(I) Alpha1. Chase,1998 pp931-4.
1 j12/66 W 1.00CL 6.00 0.00 0.00 0.00 1 396.5580000 -593710.000
298.150 450.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
1.661826519D+02 0.000000000D+00 1.508873100D+01 2.015651227D-02-2.754798370D-08
0.000000000D+00 0.000000000D+00 -7.680028810D+04-6.329365920D+01
WCL6(II) Alpha2. Chase,1998 pp931-4.
1 j12/66 W 1.00CL 6.00 0.00 0.00 0.00 2 396.5580000 -593710.000
450.000 503.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-9.897046360D+03 0.000000000D+00 1.522857952D+01 1.994376611D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.636166220D+04-6.296167010D+01
WCL6(III) Beta. Chase,1998 pp931-4.
1 j12/66 W 1.00CL 6.00 0.00 0.00 0.00 3 396.5580000 -593710.000
503.000 555.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 2.264474996D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.565217840D+04-9.527165358D+01
WCL6(L) Liquid. Chase,1998 pp931-4.
1 j12/66 W 1.00CL 6.00 0.00 0.00 0.00 4 396.5580000 -593710.000
555.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 2.415439996D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.568493560D+04-1.033604557D+02
WOCL4(cr) Crystal. Chase,1998 pp897-9.
1 j 3/67 W 1.00O 1.00CL 4.00 0.00 0.00 1 341.6514000 -671114.000
298.150 484.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
1.295153216D+03 0.000000000D+00 1.378522135D+01 1.276179773D-02-1.713279395D-07
0.000000000D+00 0.000000000D+00 -8.538742740D+04-6.154983780D+01
WOCL4(L) Liquid. Chase,1998 pp897-9.
1 j 3/67 W 1.00O 1.00CL 4.00 0.00 0.00 2 341.6514000 -671114.000
484.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
0.000000000D+00 0.000000000D+00 2.188992496D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -8.236656270D+04-9.422321377D+01
WO2(cr) Gurvich,1982 pt1 p46 pt2 p49.
2 tpis82 W 1.00O 2.00 0.00 0.00 0.00 1 215.8388000 -588100.000
100.000 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8711.000
-1.733842408D+04 0.000000000D+00 2.558979845D+00 1.457260175D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.220058630D+04-1.293182268D+01
298.150 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8711.000
-1.555714047D+05 0.000000000D+00 7.983272616D+00 1.595163155D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -7.370467050D+04-4.074555290D+01
WO2CL2(cr) Chase,1998 p848.
1 j 3/67 W 1.00O 2.00CL 2.00 0.00 0.00 1 286.7448000 -780316.000
298.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-3.819410020D+05 2.367029691D+03 9.834455770D+00-2.508443012D-02 1.017169638D-04
-1.040117941D-07 3.468311980D-11 -1.111440350D+05-2.227929881D+01
WO3(III) Gurvich,1982 pt1 p49 pt2 p51.
1 tpis82 W 1.00O 3.00 0.00 0.00 0.00 1 231.8382000 -841300.000
100.000 325.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13280.000
-2.841140443D+05 7.257714840D+03-6.708405120D+01 3.092936300D-01-4.127635650D-04
0.000000000D+00 0.000000000D+00 -1.335884160D+05 3.409113710D+02
WO3(III,II) Gurvich,1982 pt1 p49 pt2 p51.
1 tpis82 W 1.00O 3.00 0.00 0.00 0.00 2 231.8382000 -841300.000
325.000 1013.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13280.000
-5.186114395D+04 0.000000000D+00 8.548308920D+00 4.317151582D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.040935177D+05-4.044670662D+01
WO3(I) Gurvich,1982 pt1 p49 pt2 p51.
1 tpis82 W 1.00O 3.00 0.00 0.00 0.00 3 231.8382000 -841300.000
1013.000 1747.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13280.000
0.000000000D+00 0.000000000D+00 9.737555190D+00 1.958624140D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.039166330D+05-4.614390358D+01
WO3(L) Liquid. Gurvich,1982 pt1 p49 pt2 p51.
1 tpis82 W 1.00O 3.00 0.00 0.00 0.00 4 231.8382000 -841300.000
1747.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13280.000
0.000000000D+00 0.000000000D+00 1.551504538D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.022412072D+05-8.082927535D+01
Zn(cr) Crystal. Ref-Elm. Cox,1989 p221.
1 coda89 ZN 1.00 0.00 0.00 0.00 0.00 1 65.3900000 0.000
200.000 692.7307 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5657.000
3.702080380D+05-5.915475500D+03 3.959500360D+01-1.143735885D-01 1.934363797D-04
-1.675385126D-07 6.078189940D-11 2.681737238D+04-2.114848186D+02
Zn(L) Liquid. Ref-Elm. Cox,1989 p221.
1 coda89 ZN 1.00 0.00 0.00 0.00 0.00 2 65.3900000 0.000
692.730 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5657.000
0.000000000D+00 0.000000000D+00 3.776530427D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.317345880D+02-1.567077937D+01
ZnSO4(a) Alpha. Chase,1998 p1788.
1 j 3/79 ZN 1.00S 1.00O 4.00 0.00 0.00 1 161.4526000 -980143.840
200.000 540.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17238.080
4.103530390D+05-7.357987120D+03 5.215317850D+01-1.152180317D-01 1.922132213D-04
-1.099361720D-07 0.000000000D+00 -8.649370210D+04-2.794432413D+02
ZnSO4(a') Alpha'.Chase,1998 p1788.
1 j 3/79 ZN 1.00S 1.00O 4.00 0.00 0.00 2 161.4526000 -980143.840
540.000 1013.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17238.080
-3.253792010D+06 3.252313710D+04-1.146490609D+02 2.718567520D-01-3.079986965D-04
1.830520033D-07-4.445112450D-11 -2.895173465D+05 6.881710230D+02
ZnSO4(b) Beta. Chase,1998 p1788.
1 j 3/79 ZN 1.00S 1.00O 4.00 0.00 0.00 3 161.4526000 -980143.840
1013.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 17238.080
0.000000000D+00 0.000000000D+00 1.746161830D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.211366813D+05-8.514209609D+01
Zr(a) Alpha. Ref-Elm. Chase,1998 pp1943-7.
1 j 6/79 ZR 1.00 0.00 0.00 0.00 0.00 1 91.2240000 0.000
200.000 1135.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5497.000
-1.153699220D+04 2.626203401D+01 2.932054698D+00 5.743358570D-04-7.651710410D-07
1.597202829D-09-6.097129620D-13 -1.084153260D+03-1.215776960D+01
Zr(b) Beta. Ref-Elm. Chase,1998 pp1943-7.
1 j 6/79 ZR 1.00 0.00 0.00 0.00 0.00 2 91.2240000 0.000
1135.000 2125.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5497.000
-1.065463955D+06 4.273000010D+03-3.173856480D+00 5.018842560D-03-2.363431747D-06
7.707582390D-10-8.156156570D-14 -2.641247444D+04 3.072041827D+01
Zr(L) Liquid. Ref-Elm. Chase,1998 pp1943-7.
1 j 6/79 ZR 1.00 0.00 0.00 0.00 0.00 3 91.2240000 0.000
2125.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5497.000
0.000000000D+00 0.000000000D+00 5.032166658D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.100795852D+03-2.548066000D+01
ZrC(cr) Crystal. Chase,1998 pp658-60.
2 j12/64 ZR 1.00C 1.00 0.00 0.00 0.00 1 103.2347000 -196648.000
200.000 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5862.000
-1.329596558D+05 1.766908163D+03-9.907099000D+00 5.427909170D-02-8.887722520D-05
7.332246190D-08-2.420411623D-11 -3.297124410D+04 5.279964170D+01
800.000 3805.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5862.000
8.297591180D+05-4.224196050D+03 1.308509211D+01-5.018095870D-03 2.155019459D-06
-4.233046770D-10 3.266859200D-14 -7.112782350D+02-7.921945570D+01
ZrC(L) Liquid. Chase,1998 pp658-60.
1 j12/64 ZR 1.00C 1.00 0.00 0.00 0.00 2 103.2347000 -196648.000
3805.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 5862.000
0.000000000D+00 0.000000000D+00 7.548249987D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.885005134D+04-3.953387107D+01
ZrN(cr) Chase,1998 pp1617-9 6/61.
2 g11/00 ZR 1.00N 1.00 0.00 0.00 0.00 1 105.2307000 -371238.000
200.000 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6590.000
2.548624207D+05-4.476456170D+03 2.958601499D+01-6.635810940D-02 1.033814686D-04
-8.272994600D-08 2.689947231D-11 -2.492379728D+04-1.616084405D+02
800.000 3225.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6590.000
2.174089790D+05-1.074470994D+03 7.053124150D+00-1.447713245D-04 3.458043010D-07
-5.893486000D-11 3.787112980D-15 -3.999164210D+04-3.811591880D+01
ZrN(L) Chase,1998 pp1617-9 6/61.
1 g11/00 ZR 1.00N 1.00 0.00 0.00 0.00 2 105.2307000 -371238.000
3225.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6590.000
0.000000000D+00 0.000000000D+00 7.045033321D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -3.882762780D+04-3.444078302D+01
ZrO2(III) Monoclinic. Gurvich,1982 pt1 p123 pt2 p122.
2 tpis82 ZR 1.00O 2.00 0.00 0.00 0.00 1 123.2228000 -1100300.000
200.000 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8751.000
-4.214621830D+06 7.918732350D+04-6.071267910D+02 2.463358622D+00-5.388665930D-03
6.144154000D-06-2.860860736D-09 -4.893051030D+05 3.163542730D+03
500.000 1445.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8751.000
-1.616911113D+05 0.000000000D+00 8.218464380D+00 1.091902502D-03 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.353760676D+05-4.200007680D+01
ZrO2(II) Tetragonal. Gurvich,1982 pt1 p123 pt2 p122.
1 tpis82 ZR 1.00O 2.00 0.00 0.00 0.00 2 123.2228000 -1100300.000
1445.000 2620.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8751.000
0.000000000D+00 0.000000000D+00 9.393217399D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.348114469D+05-4.823174581D+01
ZrO2(I) Cubic. Gurvich,1982 pt1 p123 pt2 p122.
1 tpis82 ZR 1.00O 2.00 0.00 0.00 0.00 3 123.2228000 -1100300.000
2620.000 2983.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8751.000
0.000000000D+00 0.000000000D+00 9.621733572D+00 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.338466275D+05-4.943361269D+01
ZrO2(L) Liquid. Gurvich,1982 pt1 p123 pt2 p122.
1 tpis82 ZR 1.00O 2.00 0.00 0.00 0.00 4 123.2228000 -1100300.000
2983.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8751.000
0.000000000D+00 0.000000000D+00 1.202716696D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -1.301975851D+05-6.505001424D+01
END PRODUCTS
Air Mole%:N2 78.084,O2 20.9476,Ar .9365,CO2 .0319.Gordon,1982.Reac
2 g 9/95 N 1.5617O .41959AR.00937C .00032 .00000 0 28.9651159 -125.530
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8649.264
1.009950160D+04-1.968275610D+02 5.009155110D+00-5.761013730D-03 1.066859930D-05
-7.940297970D-09 2.185231910D-12 -1.767967310D+02-3.921504225D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 8649.264
2.415214430D+05-1.257874600D+03 5.144558670D+00-2.138541790D-04 7.065227840D-08
-1.071483490D-11 6.577800150D-16 6.462263190D+03-8.147411905D+00
B2H6(L) Diborane. McBride,1996 pp84,92.
0 g 6/96 B 2.00H 6.00 0.00 0.00 0.00 1 27.6696400 16445.000
180.590 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
B5H9(L) Pentaborane. Chase,1998 p302.
0 j 3/65 B 5.00H 9.00 0.00 0.00 0.00 1 63.1264600 42840.000
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
(CH2)x(cr) Ethylene polymer. McBride,1996 pp84,92.
0 g 6/96 C 1.00H 2.00 0.00 0.00 0.00 1 14.0265800 -25600.000
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
CH3NO2(L) Nitromethane. McBride,1996 pp85,93.
0 g 6/96 C 1.00H 3.00N 1.00O 2.00 0.00 1 61.0400200 -113100.000
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
CH4(L) Methane. McBride,1996 pp85,93.
0 g 6/96 C 1.00H 4.00 0.00 0.00 0.00 1 16.0424600 -89233.000
111.643 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
CH3OH(L) MeOH. TRC(12/87) p5000 (12/84)tc,uc,vc5031,5033. React.
1 n12/84 C 1.00H 4.00O 1.00 0.00 0.00 1 32.0418600 -238910.000
175.610 390.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 18995.000
-1.302004763D+06 3.166984180D+04-3.031242152D+02 1.602231130D+00-4.594507340D-03
6.990178310D-06-4.207388950D-09 -1.656168201D+05 1.514346642D+03
CH6N2(L) Monomethyl Hydrazine. TRC(12/93) p9220.
0 n12/93 C 1.00H 6.00N 2.00 0.00 0.00 1 46.0717400 54200.000
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
C2H2(L),acetyle Acetylene. McBride,1996 pp84,92.
0 g 6/96 C 2.00H 2.00 0.00 0.00 0.00 1 26.0372800 207599.000
192.350 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
CH3CN(L) Ethanenitrile (Acetonitrile). McBride,1996 pp84,92.
0 g 6/96 C 2.00H 3.00N 1.00 0.00 0.00 1 41.0519200 31380.000
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
C2H4(L) Ethylene. McBride,1996 pp84,92.
0 g 6/96 C 2.00H 4.00 0.00 0.00 0.00 1 28.0531600 33945.000
169.420 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
C2H4O(L),ethyle Ethylene oxide (Oxirane). McBride,1996 pp84,92.
0 g 6/96 C 2.00H 4.00O 1.00 0.00 0.00 1 44.0525600 -78841.000
283.650 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
C2H6(L) Ethane. McBride,1996 pp84,92.
0 g 6/96 C 2.00H 6.00 0.00 0.00 0.00 1 30.0690400 -103819.000
184.559 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
C2H5OH(L) Ethanol. TRC(12/87) p5000 (12/84) tc,uc,vc5031-3. React.
1 n12/84 C 2.00H 6.00O 1.00 0.00 0.00 1 46.0684400 -277510.000
159.000 390.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 24082.000
4.501115940D+05-1.020828990D+04 1.014266780D+02-3.874672610D-01 7.121392610D-04
-1.857071450D-07-2.037622570D-10 7.448557900D+03-5.044255520D+02
C2H8N2(L),UDMH Unsymmetrical Dimethyl Hydrazine. McBride,1996 pp85,93.
0 g 6/96 C 2.00H 8.00N 2.00 0.00 0.00 1 60.0983200 48900.000
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
C2N2(L) Cyanogen. McBride,1996 pp84,92.
0 g 6/96 C 2.00N 2.00 0.00 0.00 0.00 1 52.0348000 283209.000
252.050 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
C3H6(L),propyle Propylene. McBride,1996 pp85,93.
0 g 6/96 C 3.00H 6.00 0.00 0.00 0.00 1 42.0797400 -2704.000
225.460 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
C3H7NO3(L) Propyl Nitrate. McBride,1996 pp85,93.
0 g 6/96 C 3.00H 7.00N 1.00O 3.00 0.00 1 105.0925800 -214500.000
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
C3H8(L) Propane. McBride,1996 pp85,93.
0 g 6/96 C 3.00H 8.00 0.00 0.00 0.00 1 44.0956200 -128228.000
231.076 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
C4H8(L),1-buten 1-Butene. McBride,1996 pp84,92.
0 g 6/96 C 4.00H 8.00 0.00 0.00 0.00 1 56.1063200 -25173.000
266.920 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
C4H10(L),n-buta n-Butane. McBride,1996 pp84,92.
0 g 6/96 C 4.00H 10.00 0.00 0.00 0.00 1 58.1222000 -150664.000
272.638 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
C4H10(L),isobut Isobutane(2-methyl propane). McBride,1996 pp84,92.
0 g 6/96 C 4.00H 10.00 0.00 0.00 0.00 1 58.1222000 -159664.000
261.361 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
C5H12(L),n-pent n-Pentane. McBride,1996 pp85,93.
0 g 6/96 C 5.00H 12.00 0.00 0.00 0.00 1 72.1487800 -173490.000
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
C6H6(L) TRC(10/86) tc,uc,vc3201 (4/83) p3200. React.
1 n10/86 C 6.00H 6.00 0.00 0.00 0.00 1 78.1118400 49080.000
278.680 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 30110.000
-2.291003940D+06 3.692058160D+04-1.820019971D+02 2.634137216D-01 9.742585920D-04
-3.307909150D-06 2.888191394D-09 -1.730169095D+05 1.070458659D+03
C6H5NH2(L) Aniline. TRC(12/88) tc,uc,vc9370. TRC(6/95) p9370. React.
1 n12/88 C 6.00H 7.00N 1.00 0.00 0.00 1 93.1264800 31500.000
267.130 460.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 34020.000
6.257653490D+07-8.930118090D+05 5.055201440D+03-1.397470822D+01 1.889729680D-02
-9.205910240D-06-1.289458554D-09 4.267459270D+06-2.801220752D+04
C6H14(L),n-hexa n-hexane. TRC(4/85) p,tc,uc,vc1440,1441. React.
1 n 4/85 C 6.00H 14.00 0.00 0.00 0.00 1 86.1753600 -198660.000
177.860 300.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 46920.000
7.721016130D+06-2.249298616D+05 2.717090647D+03-1.698251992D+01 5.907215180D-02
-1.074528475D-04 8.024238270D-08 8.808691730D+05-1.292771483D+04
C7H8(L) TRC(10/86) tc uc vc3200-1 (4/83) p-3200. React.
1 n10/86 C 7.00H 8.00 0.00 0.00 0.00 1 92.1384200 12180.000
178.150 500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 33470.000
-3.713549510D+06 7.772529030D+04-6.312269860D+02 2.724391982D+00-6.103535080D-03
7.022421900D-06-3.113715680D-09 -3.452115500D+05 3.265980710D+03
C7H16(L),n-hept TRC(10/84) p-1010 (10/75) tc,uc,vc1460. React.
1 n10/75 C 7.00H 16.00 0.00 0.00 0.00 1 100.2019400 -224350.000
182.580 380.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 52640.000
1.759947367D+06-3.749396790D+04 3.963064900D+02-2.117827431D+00 6.828248670D-03
-1.131862116D-05 7.736860130D-09 1.269072572D+05-1.921686840D+03
C8H18(L),n-octa TRC(10/76) tc,uc,vc1491,1492. Hf:(10/84) p1010. React.
1 n10/84 C 8.00H 18.00 0.00 0.00 0.00 1 114.2285200 -250260.000
216.370 400.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 61490.000
-1.683314826D+07 3.532615080D+05-2.967857531D+03 1.316703807D+01-3.186822410D-02
4.075748010D-05-2.153277285D-08 -1.588494258D+06 1.521639569D+04
C8H18(L),isooct TRC(10/76) tc,uc,vc1491,1492. Hf:(10/82) p1490. React.
1 n10/82 C 8.00H 18.00 0.00 0.00 0.00 1 114.2285200 -259160.000
165.790 380.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 50190.000
1.419157943D+05-2.937251288D+03 4.168834760D+01-8.436942210D-02 2.894147919D-04
-2.200563712D-07 7.234225570D-11 -2.479398829D+04-1.930220201D+02
CLF3(L) Chlorine Trifluoride. McBride,1996 pp84,92.
0 g 6/96 CL 1.00F 3.00 0.00 0.00 0.00 1 92.4482096 -193386.000
284.890 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
CLO3F Hf:Wagman,1982 p49. Chase,1998 p755. React.
2 g 5/95 CL 1.00O 3.00F 1.00 0.00 0.00 0 102.4496032 -23800.000
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13298.823
4.461077310D+04-5.892352210D+02 3.558850810D+00 2.809585831D-02-3.610880350D-05
2.273331859D-08-5.716733040D-12 -1.388667752D+03 4.590741392D+00
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 13298.823
-3.910495440D+05-1.193220687D+03 1.388657545D+01-3.541312060D-04 7.825464770D-08
-8.978325430D-12 4.163869660D-16 -1.275082535D+03-5.106452991D+01
CLO3F(L) Perchloryl Fluoride. McBride,1996 pp85,93.
0 g 6/96 CL 1.00O 3.00F 1.00 0.00 0.00 1 102.4496032 -47436.000
226.400 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
CL2(L) Chlorine. McBride,1996 pp84,92.
0 g 6/96 CL 2.00 0.00 0.00 0.00 0.00 1 70.9060000 -22550.000
239.120 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
F2(L) Fluorine. McBride,1996 pp84,92.
0 g 6/96 F 2.00 0.00 0.00 0.00 0.00 1 37.9968064 -13091.000
85.020 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
F2O(L) Oxygen Difluoride. McBride,1996 pp85,93.
0 g 6/96 F 2.00O 1.00 0.00 0.00 0.00 1 53.9962064 6672.000
128.400 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
HNO3(L) Nitric Acid. McBride,1996 pp85,93.
0 g 6/96 H 1.00N 1.00O 3.00 0.00 0.00 1 63.0128400 -173013.000
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
H2(L) Hydrogen. McBride,1996 pp84,92.
0 g 6/96 H 2.00 0.00 0.00 0.00 0.00 1 2.0158800 -9012.000
20.270 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
H2O2(L) Gurvich, 1989 v1 pt1 p126 pt2 p303. React.
1 tpis89 H 2.00O 2.00 0.00 0.00 0.00 1 34.0146800 -187780.000
272.740 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22949.000
0.000000000D+00 0.000000000D+00 1.074386825D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -2.578789845D+04-4.803221291D+01
IRFNA Inhibited Red Fuming Nitric Acid. McBride,1996 pp84,93.
0 g 6/96 H 1.57N 1.63O 4.70F 0.02 0.00 1 99.9905349 -270496.000
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
JP-4 McBride,1996 pp85,93. Hcomb = 18640.BTU/#
0 g 6/96 C 1.00H 1.94 0.00 0.00 0.00 1 13.9661036 -22723.000
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
JP-5 Or ASTMA1(L). McBride,1996 pp85,93. Hcomb = 18600.BTU/#
0 g 6/96 C 1.00H 1.92 0.00 0.00 0.00 1 13.9459448 -22183.000
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
JP-10(L) Exo-tetrahydrodicyclopentadiene. Smith,1979. React.
0 g 6/01 C 10.00H 16.00 0.00 0.00 0.00 0 136.2340400 -122800.400
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
JP-10(g) Exo-tetrahydrodicyclopentadiene. Zehe,2002. React.
2 g 6/01 C 10.00H 16.00 0.00 0.00 0.00 0 136.2340400 -86855.900
200.000 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22997.434
-7.310769440D+05 1.521764245D+04-1.139312644D+02 4.281501620D-01-5.218740440D-04
3.357233400D-07-8.805750980D-11 -8.067482120D+04 6.320148610D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 22997.434
1.220329594D+07-5.794846240D+04 1.092281156D+02-1.082406215D-02 2.034992622D-06
-2.052060369D-10 8.575760210D-15 3.257334050D+05-7.092350760D+02
Jet-A(L) McBride,1996. Faith,1971. Gracia-Salcedo,1988. React.
1 g 2/96 C 12.00H 23.00 0.00 0.00 0.00 1 167.3110200 -303403.000
220.000 550.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-4.218262130D+05-5.576600450D+03 1.522120958D+02-8.610197550D-01 3.071662234D-03
-4.702789540D-06 2.743019833D-09 -3.238369150D+04-6.781094910D+02
Jet-A(g) McBride,1996. Faith,1971. Gracia-Salcedo,1988. React.
2 g 8/01 C 12.00H 23.00 0.00 0.00 0.00 0 167.3110200 -249657.000
273.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
-6.068695590D+05 8.328259590D+03-4.312321270D+01 2.572390455D-01-2.629316040D-04
1.644988940D-07-4.645335140D-11 -7.606962760D+04 2.794305937D+02
1000.000 6000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
1.858356102D+07-7.677219890D+04 1.419826133D+02-7.437524530D-03 5.856202550D-07
1.223955647D-11-3.149201922D-15 4.221989520D+05-8.986061040D+02
LiCLO4(cr) Lithium Perchlorate. Chase,1998 p782.
0 g 6/96 LI 1.00CL 1.00O 4.00 0.00 0.00 1 106.3916000 -380700.000
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
NF3(L) Nitrogen trifluoride. McBride,1996 pp85,93.
0 g 6/96 N 1.00F 3.00 0.00 0.00 0.00 1 71.0019096 -150387.000
144.090 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
NH3(L) Ammonia. McBride,1996 pp84,92.
0 g 6/96 N 1.00H 3.00 0.00 0.00 0.00 1 17.0305200 -71555.000
239.720 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
NH4CLO4(I) Ammonium Perchlorate. Chase,1998 p766. React.
1 j12/62 N 1.00H 4.00CL 1.00O 4.00 0.00 1 117.4890600 -295767.000
100.000 513.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25238.000
-3.075344900D+03-2.136506130D+02 1.021583093D+01 1.659463617D-02 1.665266832D-05
-2.306096672D-08 1.543657693D-11 -3.825767260D+04-4.230254380D+01
NH4CLO4(II) Ammonium Perchlorate. Chase,1998 p766. React.
2 j12/62 N 1.00H 4.00CL 1.00O 4.00 0.00 2 117.4890600 -295767.000
513.150 1000.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25238.000
9.739327490D+06-7.095035120D+04 2.133435041D+02-2.657628679D-01 2.034168863D-04
-5.628229760D-08 0.000000000D+00 3.485366440D+05-1.304962218D+03
1000.000 1500.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 25238.000
4.174684580D+06-1.716642636D+04 1.925955165D+01 3.499518910D-02-6.264443390D-06
-1.494354361D-09 0.000000000D+00 7.134752510D+04-1.274562074D+02
NH4NO3(IV) Rhombic(IV). Gurvich,1989 pt1 p370 pt2 p322. React.
2 tpis89 N 2.00H 4.00O 3.00 0.00 0.00 1 80.0433600 -365600.000
256.200 298.1507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23662.000
-1.046561904D+07 1.560375249D+05-9.143153600D+02 2.670225944D+00-3.549932910D-03
1.692615192D-06 0.000000000D+00 -7.861735160D+05 5.038726210D+03
298.150 305.3807 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23662.000
0.000000000D+00 0.000000000D+00 5.865649329D+00 3.643028874D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.733937230D+04-2.614362444D+01
NH4NO3(III) Rhombic(III). Gurvich,1989 pt1 p370 pt2 p322. React.
1 tpis89 N 2.00H 4.00O 3.00 0.00 0.00 2 80.0433600 -365600.000
305.380 357.2507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23662.000
0.000000000D+00 0.000000000D+00 7.233138213D+00 2.333270391D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.694179380D+04-2.929851693D+01
NH4NO3(II) Tetragonal(II). Gurvich,1989 pt1 p370 pt2 p322. React.
1 tpis89 N 2.00H 4.00O 3.00 0.00 0.00 3 80.0433600 -365600.000
357.250 399.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23662.000
0.000000000D+00 0.000000000D+00 6.023205216D+01-1.767993544D-01 0.000000000D+00
4.528829721D-07 0.000000000D+00 -5.478633510D+04-2.757806209D+02
NH4NO3(I) Cubic(I). Gurvich,1989 pt1 p370 pt2 p322. React.
1 tpis89 N 2.00H 4.00O 3.00 0.00 0.00 4 80.0433600 -365600.000
399.000 442.8507 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23662.000
0.000000000D+00 0.000000000D+00 1.295325882D+01 1.563531705D-02 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.783701280D+04-5.848510823D+01
NH4NO3(L) Liquid Gurvich,1989 pt1 p370 pt2 p322. React.
1 tpis89 N 2.00H 4.00O 3.00 0.00 0.00 5 80.0433600 -365600.000
442.850 900.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 23662.000
0.000000000D+00 0.000000000D+00 1.936373881D+01 0.000000000D+00 0.000000000D+00
0.000000000D+00 0.000000000D+00 -4.843793300D+04-8.903005276D+01
N2(L) Nitrogen. McBride,1996 pp85,93.
0 g 6/96 N 2.00 0.00 0.00 0.00 0.00 1 28.0134000 -12107.000
77.352 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
N2H4(L) Hydrazine.Hf:Gurvich,1989 pt1 p360. Chase,1998(12/65). React.
1 g11/99 N 2.00H 4.00 0.00 0.00 0.00 1 32.0451600 50380.000
100.000 800.0007 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 0.000
2.080965738D+04-7.418167630D+02 1.916569184D+01-4.539330120D-02 1.342024252D-04
-1.470873931D-07 6.056288260D-11 5.735408180D+03-8.820213940D+01
N2O4(L) Dinitrogen tetroxide. McBride,1996 pp85,93.
0 g 6/96 N 2.00O 4.00 0.00 0.00 0.00 1 92.0110000 -17549.000
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
O2(L) Oxygen. McBride,1996 pp85,93.
0 g 6/96 O 2.00 0.00 0.00 0.00 0.00 1 31.9988000 -12979.000
90.170 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
O3(L) Ozone. McBride,1996 pp85,93.
0 g 6/96 O 3.00 0.00 0.00 0.00 0.00 1 47.9982000 122527.000
161.850 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
RP-1 Mehta et.al. AIAA 95-2962 1995. Hcomb(high) = 19923.BTU/#
0 gll/00 C 1.00H 1.95 0.00 0.00 0.00 1 13.9761830 -24717.700
298.150 0.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.000
END REACTANTS