*akg2011 ... Enthalpy and entropy: Lemire, R.J. et al. 2013. Chemical
* Thermodynamics of Iron Part 1, in: Perrone, J. (Ed.). OECD Nuclear
* Energy Agency, Issy-les-Moulineaux, France, p. 1083. Heat capacity:
* Snow, C.L., Smith, S.J., Lang, B.E., Shi, Q., Boerio-Goates, J.,
* Woodfield, B.F., Navrotsky, A., 2011. Heat capacity studies of the
* iron oxyhydroxides akaganéite (b-FeOOH) and lepidocrocite (g-FeOOH).
* J. Chem Thermodynamics 43, 190-199. Note that heat capacity was
* measured only to 26.85 C; we extrapolate to 150C. Molar volume: No
* new data; use goethite.
*
*Bess05 ... Bessinger, Brad, and Apps, John A. The Hydrothermal Chemistry of
* Gold, Arsenic, Antimony, Mercury and Silver. Unpublished manuscript.
* Also, includes new data for HS- and H2S.
*
*Diak98a ... Diakonov, I.I., Ragnarsdottir, K.V., Tagirov, B.R., 1998a.
* Standard thermodynamic properties and heat capacity equations
* of rare earth hydroxides: II. Ce(III)-, Pr-, Sm-, Eu(III)-, Gd-,
* Tb-, Dy-, Ho-, Er-, Tm-, Yb-, and Y-hydroxides. Comparison of
* thermochemical and solubility data. Chem. Geol. 151, 327-347.
* Molar volume from Milligan et al. (1979).Rare-earth tri-hydroxide
* paramters. Journal of Applied Crystallography 12, 411-412.
*
*Diak98b ... Diakonov, I.I., Tagirov, B.R., Ragnarsdottir, K.V., 1998b.
* Standard thermodynamic properties and heat capacity equations
* for rare earth element hydroxides: I. La(OH)3(s) and Nd(OH)3(s).
* Comparison of thermochemical and solubility data. Radiochimica
* Acta 81, 107-116.
*
*Gysi15 ... Gysi, A.P., Williams-Jones, A.E., 2015. The thermodynamic
* properties of bastnäsite-(Ce) and parisite-(Ce). Chem. Geol. 392,
* 87-101.
*
*Janots07 ... Janots, E. et al. Thermochemistry of monazite-(La) and
* dissakisite-(La): Implications for monazite and allanite stability
* in metapelites. Contrib. Mineral Petrol. 154, 1-14.
*
*MA07 ... Matschei, Thomas; Lothenbach, Barbara; Glasser, Fredrik P.
* 2007, Thermodynamic properties of Portland cement
* hydrates in the system CaO–Al2O3–SiO2–CaSO4–CaCO3–H2O:
* Cement and Concrete Research, v. 37, n. 10, pp. 1379-1410
*
*MGC2016 ... Migdisov, A., Williams-Jones, A.E., Brugger, J., Caporuscio,
* F.A., 2016. Hydrothermal transport, deposition, and fractionation
* of the REE: Experimental data and thermodynamic calculations. Chem.
* Geol. 439, 13-42.
*
*Ogor12 ... G, H, S, and Cp: Ogorodova, L.P., Melchakova, L.V., Kiseleva, I.A.,
* Peretyazhko, I.S., 2012. Thermodynamics of natural tourmalines-Dravite
* and schorl. Thermochimica Acta 539, 1-6. MOLAR VOLUME: Van Hinsberg,
* V.J., Schumacher, J.C., 2007. Using estimated thermodynamic properties
* to model accessory phases: the case of tourmaline. J. Metamorph. Geol.
* 25, 769-779. Enthalpies adjusted slightly (all by <1540 J = 368 cal) to
* make consistent with data from Holland and Powell.
*
*RG97 ... Goodgame,V.Roland. (1997) The distribution and origin of arsenic
* and platinum group element mineralization in the Mariners nickel
* deposit, Widgiemooltha, Western Australia. Unpublished Ph.D.
* thesis, University of Oregon.
*
*RH95 ... Robie, R.A., and Hemingway, B.S. (1995). Thermodynamic properties
* of minerals and related substances at 298.15K and 1 bar (105 pascals)
* and at higher temperatures. USGS Bulletin 2131: 461 p. Minerals with
* five heat capacity coefficients re-regressed to have four, as for
* Holland and Powell. Cp error for dawsonite coeff A3 corrected
* 2020-02-12.
*
*RHF78 ... Robie, R.A. et al. (1978). Thermodynamic properties of minerals and
* related substances at 298.15K and 1 bar (105 pascals) and at higher
* temperatures." USGS Bulletin 1452: 456 p. Minerals with
* five heat capacity coefficients re-regressed to have four.
*
*RSH94 ... Robie, R.A., Seal, R.R., and Hemingway, B.S. (1994) Heat capacity
* and entropy of bornite (Cu5FeS4) between 6 and 760K and the
* thermodynamic properties of phases in the system Cu-Fe-S.
* Canadian Mineralogist, 32, 945–956.
*
*Sack00 ... Sack, R.O., 2000. Internally consistent database for sulfides
* and sulfosalts in the system Ag2S-Cu2S-ZnS-Sb2S3-As2S3. Geochim.
* Cosmochim. Acta 64, 3803-3812.
*
*Spear2010 ... Spear, F.S., 2010. Monazite–allanite phase relations in
* metapelites. Chem. Geol. 279, 55-62. Heat capacity for allanite
* re-regressed to conform to the Holland and Powell heat capacity
* equation
*
*S&P2010 ... Spear, F.S., Pyle, J.M., 2010. Theoretical modeling of monazite
* growth in a low-Ca metapelite. Chem. Geol. 273, 111-119.
*
*ST88 ... DG, DH, Cp, S, V from Stoessell, R.K., 1988. 25°C and 1 atm
* dissolution experiments of sepiolite and kerolite, GCA 52, 365-374.
* DG recalculated using old SiO2,aq and new H4SiO4,aq, so that log K
* at STP is unchanged. Since Supcrt uses DH and S instead of DG, also
* recalculate DH using S, S-elements, and DG.
*
*TU14 ... Tutolo, B. M., X.-Z. Kong, et al. (2014). "Internal consistency
* in aqueous geochemical data revisited: Applications to the aluminum
* system." Geochimica et Cosmochimica Acta 133: 216-234.
*
*WH77 ... Chalcedony - Cp, S, V from qaurtz in Holland and Powell 2011;
* Delta H, G @ 25C adjusted so that the differences between chalcedony
* and HP2011 quartz are the same as the differences in Walther and
* Helgeson 1977, Calculation of the thermodynamic properties of aqueous
* silica and the solubility of quartz and its polymorphs at high
* pressures and temperatures. Am. J. Sci. 277, 1315-1351.
* Amorphous silica - Cp, S, V from amorphous-silica in Walther and
* Helgeson 1977. Delta H, G @ 25C adjusted so that the differences
* between amorphous silica and quartz are the same as the difference in
* Walther and Helgeson 1977.
* W&H 1977 data valid only to 375C.
*
*Wo92 ... WO90:EQ3/6 database from Bill Borcier, LLNL, 1990. Data for
* U-bearing aqueous species and minerals, smectite clays.
*
*XI03 ... Xiong, Yongliang, 2003, Predicted equilibrium constants for solid
* and aqueous selenium species to 300 C: Applications to selenium-rich
* mineral deposits; Ore Geology Reviews 23 (2003) 259–276
*
*118
************************************************************************
minerals that do not undergo phase transitions
************************************************************************
hydroxyapatite Ca5(PO4)3(OH)
apat-hyd Ca(5)P(3)O(13)H(1)
RH95 05.MAY.09
-1513879.6 -1609770.7 93.263 159.600
92.642140 28.332537 -30.339226 432.632585
1000.00
fluorapatite Ca5(PO4)3F
apat-F C(1)P(3)O(12)F
RH95 05.MAY.09
-1550334.7 -1641662.7 92.666 157.560
180.195891 -7.228858 -2.170091 -1481.366460
1000.00
topaz Al2SiO4F2
topaz Al(2)Si(1)O(4)F(2)
RH95 15.FEB.10
-695650.1 -737213.2 25.191 51.530
112.667304 -19.514818 3.035373 -1311.185468
1000.00
hydrogarnet Ca3Al2(OH)12
C3AH6 Ca(3)Al(2)O(12)H(12)
MA07 30.JUN.08
-1197442.6 -1324091.8 100.143 150.000
69.789675 134.082218 0.000000 0.000000
1000.00
hydrogarnet-Si Ca3Al2(SiO4)0.8(OH)8.8
C3AS0.8H4.4 Ca(3)Al(2)Si(0.8)O(12)H(8.8)
MA07 30.JUN.08
-1282982.8 -1399378.6 88.193 143.000
26.051625 150.812620 -4.660612 611.854685
1000.00
ettringite Ca6Al2(SO4)3(OH)12(H2O)26
C6AsH32 Ca(6)Al(2)S(3)O(50)H(64)
MA07 30.JUN.08
-3634297.3 -4190965.6 454.111 707.000
463.432122 188.575526 0.000000 0.000000
1000.00
tricarboaluminate Ca6Al2(CO3)3(OH)12(H2O)26
C6AcH32 Ca(6)Al(2)C(3)O(47)H(64)
MA07 30.JUN.08
-3481262.0 -4013384.3 444.073 650.000
488.049713 133.604207 -18.594646 0.000000
1000.00
monosulfoaluminate Ca4Al2(SO4)(OH)12(H2O)6
C4AsH12 Ca(4)Al(2)S(1)O(22)H(24)
MA07 30.JUN.08
-1859106.1 -2091300.2 196.224 309.000
141.969407 279.158700 0.000000 0.000000
1000.00
monocarboaluminate Ca4Al2(CO3)(OH)12(H2O)5
C4AcH11 Ca(4)Al(2)C(1)O(20)H(22)
MA07 30.JUN.08
-1753704.6 -1971797.3 157.027 262.000
147.705545 234.703633 -6.190249 0.000000
1000.00
hemicarboaluminate Ca4Al2(CO3)0.5(OH)13(H2O)5.5
C4Ac0.5H12 Ca(4)Al(2)C(0.5)O(20)H(24)
MA07 30.JUN.08
-1753346.1 -1976577.4 170.411 285.000
158.699809 242.351816 -3.107075 -191.204589
1000.00
C4AH13 Ca4Al2(OH)14(H2O)6
C4AH13 Ca(4)Al(2)O(20)H(26)
MA07 30.JUN.08
-1751099.4 -1984225.6 167.304 274.000
169.933078 250.239006 0.000000 -382.409178
1000.00
C2AH8 Ca2Al2(OH)10(H2O)3
C2AH8 Ca(2)Al(2)O(13)H(16)
MA07 30.JUN.08
-1150286.8 -1298518.2 105.163 184.000
93.690249 170.650096 0.000000 -191.204589
1000.00
stratlingite Ca2Al2SiO2(OH)10(H2O)3
C2ASH8 Ca(2)Al(2)Si(1)O(15)H(16)
MA07 30.JUN.08
-1363551.6 -1520076.5 130.497 216.000
104.684512 179.015296 -2.700765 -191.204589
1000.00
jennite Ca1.667SiO2(OH)3.333(H2O)0.430
C1.67SH2.1 Ca(1.667)Si(1)O(5.763)H(4.193)
MA07 30.JUN.08
-592925.4 -650812.6 33.461 78.000
50.191205 28.680688 -7.337476 0.000000
1000.00
tobermorite Ca0.833SiO2(OH)1.667(H2O)0.5
C0.83SH1.3 Ca(0.833)Si(1)O(4.167)H(2.667)
MA07 30.JUN.08
-416921.6 -457935.0 19.120 59.000
20.315488 38.240918 0.000000 0.000000
1000.00
alite Ca3SiO5
C3S Ca(3)Si(1)O(5)
MA07 30.JUN.08
-665463.7 -700525.8 40.392 73.000
49.952199 8.604207 -10.157744 0.000000
1000.00
belite Ca2SiO4
b-C2S Ca(2)Si(1)O(4)
MA07 30.JUN.08
-524187.4 -551625.2 30.593 52.000
36.328872 8.843212 -7.241874 0.000000
1000.00
C3A Ca3Al2O6
C3A Ca(3)Al(2)O(6)
MA07 30.JUN.08
-808389.1 -851099.4 48.996 89.000
62.380497 4.541109 -12.093690 0.000000
1000.00
C4AF Ca4Al2Fe2O10
C4AF Ca(4)Al(2)Fe(2)O(10)
MA07 30.JUN.08
-1144001.0 -1214149.1 77.916 130.000
89.388145 17.447419 0.000000 0.000000
1000.00
CAH10 CaAl2(OH)8(H2O)6
CAH10 Ca(1)Al(2)O(14)H(20)
MA07 30.JUN.08
-1104780.1 -1271510.5 119.742 194.000
36.089866 266.013384 0.000000 764.818356
1000.00
silica-am-MA07 SiO2
Si-am Si(1)O(2)
MA07 30.JUN.08
-202892.0 -215822.2 9.799 29.000
11.233270 8.126195 -2.700765 0.000000
1000.00
gypsum-MA07 CaSO4(H2O)2
gyps Ca(1)S(1)O(6)H(4)
MA07 30.JUN.08
-429684.5 -483508.6 46.367 75.000
21.749522 76.003824 0.000000 0.000000
1000.00
anhydrite-MA07 CaSO4
anh Ca(1)S(1)O(4)
MA07 30.JUN.08
-315989.5 -342973.2 25.574 46.000
16.730402 23.661568 0.000000 0.000000
1000.00
portlandite-MA07 Ca(OH)2
prtl Ca(1)O(2)H(2)
MA07 30.JUN.08
-214388.1 -235420.7 19.837 33.000
44.694073 -5.258126 0.000000 -382.409178
1000.00
lime-MA07 CaO
lime Ca(1)O(1)
MA07 30.JUN.08
-144359.5 -151768.6 9.321 17.000
11.711281 0.956023 -1.560707 0.000000
1000.00
calcite-MA07 CaCO3
cc Ca(1)C(1)O
MA07 30.JUN.08
-269885.3 -288479.9 22.228 37.000
25.095602 5.258126 -6.190249 0.000000
1000.00
gibbsite-MA07 Al(OH)3
gbs Al(1)O(3)H(3)
MA07 30.JUN.08
-275095.6 -308078.4 16.730 32.000
8.604207 45.650096 0.000000 0.000000
1000.00
gibbsite-TU14 Al(OH)3
gbs Al(1)O(3)H(3)
TU14 11.FEB.20
-276030.0 -309060.0 17.800 32.000
8.604207 45.600000 0.000000 0.000000
1000.00
fluorphlogopite KMg3(AlSi3)O10F2
phlogo-F K(1)Mg(3)Al(1)Si(3)O(10)F(2)
RHF78 22.OCT.96
-1446803.1 -1527935.0 80.378 146.370
117.798572 11.735899 -15.771272 -374.952199
1000.00
cerium Ce
Ce Ce(1)
RH95 12.Feb.15
0.0 0.0 17.208 20.770
3.350143 4.610899 -0.258174 34.581740
999.00
cerianite CeO2
cer Ce(1)O(2))
RH95 12.Feb.15
-245076.5 -260205.5 14.890 23.850
19.189771 1.362189 -1.743308 -50.167304
1800.00
Ce2O3(s) Ce2O3
Ce2O3(s) Ce(2)O(3)
RHF78 1.Nov.14
-408207.5 -429302.1 35.999 47.750
31.228489 4.855402 -4.075765 0.000000
1000.00
dysprosium Dy
Dy Dy(1)
RHF78 1.Nov.14
0.0 0.0 17.899 19.010
-3.786284 5.497495 -1.970421 191.128258
1657.00
Dy2O3(s) Dy2O3
Dy2O3(s) Dy(2)O(3)
RHF78 1.Nov.14
-423371.2 -445298.8 35.801 45.683
9.140296 8.893403 -11.503585 480.975143
1590.00
erbium Er
Er Er(1)
RHF78 1.Nov.14
0.0 0.0 17.490 18.449
2.135772 3.128940 -0.776977 77.841421
1795.00
Er2O3(s) Er2O3
Er2O3(s) Er(2)O(3)
RHF78 1.Nov.14
-432332.5 -453599.4 37.199 44.171
39.084608 0.016595 3.822180 -261.878585
1800.00
europium Eu
Eu Eu(1)
RHF78 1.Nov.14
0.0 0.0 19.309 28.970
-4.779432 7.656514 -2.118960 195.994893
1090.00
EuO(s) EuO
EuO Eu(1)O(1)
RHF78 1.Nov.14
-132906.8 -141501.0 15.000 20.475
11.262906 1.649450 -0.093874 0.000000
1800.00
Eu2O3(s) Eu2O3
Eu2O3 Eu(2)O(3)
RHF78 1.Nov.14
-371691.7 -394698.9 35.000 44.020
35.138623 0.000000 -6.655354 0.000000
895.00
gadolinium Gd
Gd Gd(1)
RHF78 1.Nov.14
0.0 0.0 16.360 19.890
-1.901846 3.039467 -2.602233 175.607289
1533.00
Gd2O3(s) Gd2O3
Gd2O3 Gd(2)O(3)
RHF78 1.Nov.14
-414038.7 -434899.6 36.300 43.400
28.501434 3.246893 -1.158843 -34.299713
1800.00
holmium Ho
Ho Ho(1)
RHF78 1.Nov.14
0.0 0.0 17.930 18.740
-7.332527 6.788035 -3.243448 266.497486
1731.00
Ho2O3(s) Ho2O3
Ho2O3 Ho(2)O(3)
RHF78 1.Nov.14
-428148.4 -449498.1 37.801 44.900
17.720124 5.489006 -8.938576 280.401530
1800.00
lanthanum La
La La(1)
RHF78 1.Nov.14
0.0 0.0 13.599 22.470
-7.719663 7.973901 -2.517304 252.966192
1134.00
La2O3(s) La2O3
La2O3 La(2)O(3)
RHF78 1.Nov.14
-407734.9 -428699.8 30.430 49.560
31.314532 2.527725 -2.689293 -55.970363
1800.00
lutetium Lu
Lu Lu(1)
RHF78 1.Nov.14
0.0 0.0 12.180 17.770
-1.012674 4.216093 -1.266499 130.820119
1800.00
Lu2O3(s) Lu2O3
Lu2O3 Lu(2)O(3)
RHF78 1.Nov.14
-427545.2 -448900.6 26.281 42.220
35.145793 0.000000 -4.194073 -127.612333
1800.00
neodymium Nd
Nd Md(1)
RHF78 1.Nov.14
0.0 0.0 16.991 20.570
-3.604292 8.773871 -1.317620 155.912814
1128.00
Nd2O3(s) Nd2O3
Nd2O3 Nd(2)O(3)
RHF78 1.Nov.14
-411340.3 -432100.9 37.899 45.920
27.662524 7.117352 -2.840105 0.000000
1395.00
praseodymium Pr
Pr Pr(1)
RHF78 1.Nov.14
0.0 0.0 17.670 20.800
0.000000 7.000717 -0.342376 83.871893
1068.00
PrO1.833(s) PrO1.833
PrO1.833 PrO(1.833)
RHF78 1.Nov.14
-429400.1 -455200.8 19.099 24.600
15.110852 9.920851 0.443192 -48.894728
1100.00
Pr2O3(s) Pr2O3
Pr2O3 Pr(2)O(3)
RHF78 1.Nov.14
-411334.8 -432500.0 37.899 46.530
33.090344 4.986616 -0.157029 -97.074570
1800.00
scandium Sc
Sc Sc(1)
RHF78 1.Nov.14
0.0 0.0 8.279 15.038
1.042562 3.732641 -1.015700 87.552754
1608.00
Sc2O3(s) Sc2O3
Sc2O3 Sc(2)O(3)
RHF78 1.Nov.14
-434840.1 -456218.9 18.401 35.910
46.498566 -2.918738 1.019837 -418.905354
1800.00
samarium Sm
Sm Sm(1)
RHF78 1.Nov.14
0.0 0.0 16.611 19.980
40.366976 -9.942472 6.430133 -648.614552
1190.00
Sm2O3(s) Sm2O3
Sm2O3 Sm(2)O(3)
RHF78 1.Nov.14
-429419.2 -435700.3 36.099 45.040
30.690727 4.910373 -4.499761 0.000000
1195.00
terbium Tb
Tb Tb(1)
RHF78 1.Nov.14
0.0 0.0 17.519 19.290
4.276769 4.218451 1.222490 0.000000
1560.00
Tb2O3(s) Tb2O3
Tb2O3 Tb(2)O(3)
RHF78 1.Nov.14
-424606.4 -445800.7 37.500 46.480
21.185229 7.726099 -4.876434 168.740440
1800.00
thulium Tm
Tm Tm(1)
RHF78 1.Nov.14
0.0 0.0 17.689 18.126
9.268164 0.948112 1.940535 -91.058795
1600.00
Tm2O3(s) Tm2O3
Tm2O3 Tm(2)O(3)
RHF78 1.Nov.14
-428882.9 -451400.6 33.401 43.420
31.221319 0.673781 -3.950287 0.000000
1600.00
ytterbium-lo Yb-lo
Yb-lo Yb(1)
RHF78 1.Nov.14
0.0 0.0 14.300 24.830
-288.629977 164.134581 -50.546200 5229.472726
553.00
ytterbium-hi Yb-hi
Yb-hi Yb(1)
RHF78 1.Nov.14
0.0 0.0 14.300 24.830
5.762987 1.701476 0.779518 2.982240
1033.00
Yb2O3(s) Yb2O3
Yb2O3 Yb(2)O(3)
RHF78 1.Nov.14
-412725.6 -433699.8 31.800 42.760
32.538241 -0.482170 -4.762906 0.000000
1365.00
yttrium Y
Y Y(1)
RHF78 1.Nov.14
0.0 0.0 10.619 15.038
5.015535 2.012476 -0.226747 16.386472
1752.00
Y2O3(s) Y2O3
Y2O3 Y(2)O(3)
RHF78 1.Nov.14
-434180.0 -455380.0 23.681 44.880
28.934034 2.055903 -4.416826 0.000000
1330.00
Y(OH)3(s) Y(OH)3
Y(OH)3 Y(1)O(3)H(3)
Diak98a 02.Feb.18
-319909.2 -351888.1 23.712 36.229
52.740270 0.792394 -0.671360 -449.182869
1000.00
La(OH)3(s) La(OH)3
La(OH)3 La(1)O(3)H(3)
Diak98b 02.Feb.18
-306931.2 -338456.0 28.157 42.770
51.272993 0.773184 -0.807522 -389.320217
1000.00
Pr(OH)3(s) Pr(OH)3
Pr(OH)3 Pr(1)O(3)H(3)
Diak98a 02.Feb.18
-306142.4 -337906.3 31.477 40.967
51.251309 0.381073 -0.652563 -388.435547
1000.00
Nd(OH)3(s) Nd(OH)3
Nd(OH)3 Nd(1)O(3)H(3)
Diak98b 02.Feb.18
-306644.4 -338336.5 31.040 39.430
51.501075 0.605013 -0.425047 -398.625632
1000.00
Eu(OH)3(s) Eu(OH)3
Eu(OH)3 Eu(1)O(3)H(3)
Diak98a 02.Feb.18
-282170.2 -315272.5 28.652 38.437
51.186257 4.599578 -0.793798 -385.781538
1000.00
Gd(OH)3(s) Gd(OH)3
Gd(OH)3 Gd(1)O(3)H(3)
Diak98a 02.Feb.18
-305019.1 -336735.2 30.265 37.930
52.275271 1.288033 -0.682981 -430.211618
1000.00
Tb(OH)3(s) Tb(OH)3
Tb(OH)3 Tb(1)O(3)H(3)
Diak98a 02.Feb.18
-306190.2 -338145.3 30.681 37.356
52.291333 0.794095 -0.282341 -430.866929
1000.00
Ho(OH)3(s) Ho(OH)3
Ho(OH)3 Ho(1)O(3)H(3)
Diak98a 02.Feb.18
-310086.0 -342041.1 31.080 36.382
52.568405 2.891080 -0.334840 -442.171043
1000.00
apatite-Ce Ca4Ce(SiO4)(PO4)2OH
apat-Ce Ca(4)Ce(1)Si(1)P(2)O(13)H(1)
Spear10 31.Aug.15
-1485408.7 -1580332.5 98.308 159.7
92.686424 28.346080 -30.353728 432.839388
1000.00
apatite-Y-F Ca4Y(SiO4)(PO4)2F
apat-Y-F Ca(4)Y(1)Si(1)P(2)O(12)F(1)
S&P2010 31.Aug.15
-1605899.4 -1696132.9 91.551 156.23
180.282027 -7.241874 -2.171128 -1482.074570
1000.00
apatite-Ce-F Ca4Ce(SiO4)(PO4)2F
apat-Ce-F Ca(4)Ce(1)Si(1)P(2)O(12)F(1)
S&P2010 31.Aug.15
-1603934.8 -1696132.9 91.551 157.66
180.282027 -7.241874 -2.171128 -1482.074570
1000.00
monazite-Y YPO4
mnz-Y Y(1)P(1)O(4)
S&P2010 31.Aug.15
-447385.2 -475071.7 25.643 43.0
18.654398 27.963671 -2.208413 0.000000
1000.00
monazite-La LaPO4
mnz-La La(1)P(1)O(4)
ref:Janots07 15.Jan.15
-445960.8 -474593.7 25.478 46.040
24.608 12.667304 -3.423040 0.000000
623.00
monazite-Ce CePO4
mnz-Ce Ce(1)P(1)O(4)
Spear10 31.Aug.15
-442500.7 -470315.5 31.802 45.16
19.801625 29.397706 -2.037882 000.000000
623.00
monazite-La_MGC LaPO4
mnz-La_MGC La(1)P(1)O(4)
MGC2016 05.Jul.16
-441808.8 -470297.7 25.884 46.040
28.950765 7.197897 -6.124522 0.000000
623.00
monazite-Ce_MGC CePO4
mnz-Ce_MGC Ce(1)P(1)O(4)
MGC2016 05.Jul.16
-440841.3 -469429.9 28.681 45.160
29.925908 6.666826 -5.756453 0.000000
623.00
monazite-Pr_MGC PrPO4
mnz-Pr_MGC Pr(1)P(1)O(4)
MGC2016 08.Sep.16
-442154.9 -470794.1 29.446 45.715
29.756214 7.259560 -5.854446 0.000000
623.00
monazite-Nd_MGC NdPO4
mnz-Nd_MGC Nd(1)P(1)O(4)
MGC2016 08.Sep.16
-439841.3 -468409.3 29.374 45.139
31.778203 5.387428 -7.411329 0.000000
623.00
monazite-Sm_MGC SmPO4
mnz-Sm_MGC Sm(1)P(1)O(4)
MGC2016 08.Sep.16
-409807.9 -438204.8 29.278 44.105
31.818834 5.608987 -7.334369 0.000000
623.00
monazite-Eu_MGC EuPO4
mnz-Eu_MGC Eu(1)P(1)O(4)
MGC2016 08.Sep.16
-386772.3 -416131.9 28.011 43.693
32.877629 4.228728 -6.657266 0.000000
623.00
monazite-Gd_MGC GdPO4
mnz-Gd_MGC Gd(1)P(1)O(4)
MGC2016 08.Sep.16
-437022.7 -483533.8 -29.780 43.303
31.845124 3.057600 -7.402486 0.000000
623.00
xenotime YPO4
xntm Y(1)P(1)O(4)
S&P2010 31.Aug.15
-451827.6 -479514.1 25.643 43.0
18.654398 27.963671 -2.208413 0.000000
1000.00
xenotime-Tb_MGC TbPO4
xnt-Tb_MGC Tb(1)P(1)O(4)
MGC2016 08.Sep.16
-437636.2 -465109.6 33.007 43.832
31.611075 11.376862 -2.601930 -118.577136
623.00
xenotime-Dy_MGC DyPO4
xnt-Dy_MGC Dy(1)P(1)O(4)
MGC2016 08.Sep.16
-436440.7 -464311.1 33.007 43.348
44.335564 0.000000 -7.793977 -179.708413
623.00
xenotime-Er_MGC ErPO4
xnt-Er_MGC Er(1)P(1)O(4)
MGC2016 08.Sep.16
-437681.6 -466849.6 27.868 42.373
56.836395 -3.050725 0.365259 -557.715579
623.00
xenotime-Yb_MGC YbPO4
xntm-Yb_MGC Yb(1)P(1)O(4)
MGC2016 05.Jul.16
-430454.1 -457350.3 32.003 41.640
54.568911 -1.524826 0.020758 -515.650689
623.00
xenotime-Lu_MGC LuPO4
xntm-Lu_MGC Lu(1)P(1)O(4)
MGC2016 05.Jul.16
-436595.1 -472394.5 28.011 41.190
56.630952 -4.254923 0.401230 -551.180444
623.00
xenotime-Y_MGC YPO4
xnt-Y_MGC Y(1)P(1)O(4)
MGC2016 08.Sep.16
-441949.8 -469529.4 26.004 43.140
31.757248 4.624809 -8.377785 -8.034182
623.00
allanite CaCeFeAl2(SiO4)3OH
aln Ca(1)Ce(1)Fe(1)Al(2)Si(3)O(13)H(1)
Spear10 31.Aug.15
-1401818.5 -1506495.9 85.596 142.5
96.385516 34.641491 -12.794120 -178.252390
1000.00
dissakisite-La CaLaMgAl2(SiO4)3OH
dsk-La Ca(1)La(1)Mg(1)Al(2)Si(3)O(13)H(1)
ref:Janots07 15.Jan.15
-1572347.0 -1667423.5 74.068 137.800
100.838910 33.938815 -22.427820 0.000000
1000.00
Ag2O Ag2O
Ag2O Ag(2)O(1)
ref:Bess05 16.Jun.05
-2676.0 -7399.1 29.0 30.0
11.13 15.48 0.0 0.000000
623.15
altaite PbTe
alt Pb(1)Te(1)
ref:RG97 13.July.95
-16090.0 -16392.0 26.290 40.600
11.276400 2.686400 -.001265 0.000000
900.00
antimony Sb
Sb Sb(1)
ref:Bess05 16.Jun.05
0.0 0.0 10.773 18.18
2.49 5.93 1.88 0.000000
623.15
antimonselite Sb2Se3
anse Sb(2)Se(3)
ref:Xi03 23.Feb.06
-30019.1 -30497.1 50.693 81.700
28.381931 0.005 0.0 0.000000
888.00
argentite Ag2S
argt Ag(2)S(1)
ref:Bess05 16.Jun.05
-9450.0 -6152.5 36.0 34.8
21.64 0.0 0.0 0.000000
623.15
arsenic_old As
As As(1)
ref:RG97 28.July.95
.0 .0 8.530 13.080
4.970000 .000000 .000000 0.000000
875.00
arsenic As
As As(1)
ref:Bess05 16.Jun.05
0.0 0.0 8.39 12.96
5.23 2.22 0.0 0.000000
623.15
arsenolite As2O3
arsenol As(2)O(3)
ref:Bess05 16.Jun.05
-137640.0 -156904.8 25.67 51.12
20.98 17.73 -2.70 0.000000
623.15
arsenopyrite_old FeAsS
arspy Fe(1)As(1)S(1)
ref:RG97 6.July.95
-26200.0 -25200.0 25.900 27.140
15.030000 9.700000 .320000 0.000000
623.00
arsenopyrite FeAsS
arspy Fe(1)As(1)S(1)
ref:Bess05 16.Jun.05
-30000.0 -28989.3 25.9 26.42
15.03 9.7 0.34 0.000000
623.15
beidellite-Ca Ca.165Al2.33Si3.67O12H2
Bdl-Ca Ca(.165)Al(2.33)Si(3.67)O(12)H(2)
ref:Wo92
-1280909.0 -1370670.5 58.300 129.530
82.191000 37.150000 -18.030000 0.000000
600.00
beidellite-H H.33Al2.33Si3.67O12H2
Bdl-H H(.33)Al(2.33)Si(3.67)O(12)H(2)
ref:Wo92
-1260416.0 -1351116.7 58.700 130.700
81.438000 38.330000 -17.770000 0.000000
600.00
beidellite-K K.33Al2.33Si3.67O12H2
Bdl-K K(.33)Al(2.33)Si(3.67)O(12)H(2)
ref:Wo92
-1281773.0 -1371907.9 60.510 133.730
83.319000 38.400000 -17.920000 0.000000
600.00
beidellite-Mg Mg.165Al2.33Si3.67O12H2
Bdl-Mg Mg(.165)Al(2.33)Si(3.67)O(12)H(2)
ref:Wo92
-1277064.0 -1366900.6 57.700 123.190
81.945000 37.260000 -18.020000 0.000000
600.00
beidellite-Na Na.33Al2.33Si3.67O12H2
Bdl-Na Na(.33)Al(2.33)Si(3.67)O(12)H(2)
ref:Wo92
-1279688.0 -1369780.2 59.620 130.540
83.277000 37.780000 -18.250000 0.000000
600.00
berthierite FeSb2S4
berth Fe(1)Sb(2)S(4)
ref:Bess05 16.Jun.05
-61176.0 -61148.0 58.56 90.6
46.59 0.263 -3.86 0.000000
623.15
calcium Ca
Ca Ca(1)
ref:RG97 22.Apr.95
.0 .0 9.945 26.190
3.474900 5.669000 .790980 0.000000
720.00
chalcedony SiO2
Cha Si(1)O(2)
ref:WH77 Walther DG,H Q-chalced; Q Cp
-204340.8 -217337.5 9.902 22.690
22.203633 -0.153442 -1.708652 -171.152007
848.00
AMORPHOUS-SILICA SiO2*NH2O
Amor-Sl Si(1)O(2)H(2N)O(N)
ref:WH77 Walther DG,H Q-AmSi
-202906.3 -214585.3 14.340 29.000
5.930000 47.200000 -22.780000 0.000000
622.00
claudetite As2O3
clau As(2)O(3)
ref:Bess05 16.Jun.05
-137730.0 -156571.4 27.09 47.26
23.86 10.74 -3.44 0.000000
623.15
cobalt Co
Co Co(1)
RG97 28.July.95
.0 .0 7.180 6.620
5.810000 .000000 .000000 0.000000
1000.00
covellite_orig CuS
Cv Cu(1)S(1)
ref:1 5.May.78
-12612.0 -12500.0 15.900 20.420
10.600000 2.640000 0.000000 0.000000
1273.00
covellite CuS
Cv Cu(1)S(1)
ref:Sack00 18,Jul.02
-13189.0 -13043.0 16.073 20.440
10.600000 2.640000 0.000000 0.000000
1273.00
kotulskite PdTe
Kot Pd(1)Te(1)
ref:RG97 27.Jul.95
-9159.6 -8995.7 21.410 23.400
11.335000 3.088000 -.000302 0.000000
900.00
loellingite FeAs2
loel Fe(1)As(2)
ref:Bess05 16.Jun.05
-12450.0 -10333.1 30.4 27.51
5.4 7.3 0.0 0.000000
623.15
millerite NiS
mill Ni(1)S(1)
ref:RHF78 12.Feb.98
-20600.3 -20283.9 15.801 16.89
9.25 6.400096 .000000 0.000000
600.00
merenskyite PdTe2
mrnsky Pd(1)Te(2)
ref:RG97 13.Jul.95
-14463.0 -15163.0 30.240 36.160
16.870000 4.800000 -.000189 0.000000
900.00
moncheite PtTe2
Mon Pt(1)Te(2)
ref:RG97 27.Jul.95
-12600.0 -14000.0 28.900 45.030
16.870000 4.800000 -.000190 0.000000
900.00
montmorillonite-Ca Ca.165Mg.33Al1.67Si4O12H2
Montm-Ca Ca(.165)Mg(.33)Al(1.67)Si(4)O(12)H(2)
ref:Wo92
-1272340.0 -1361495.0 59.893 133.264
80.180000 39.500000 -16.650000 0.000000
600.00
montmorillonite-K K.33Mg.33Al1.67Si4O12H2
Montm-K K(.33)Mg(.33)Al(1.67)Si(4)O(12)H(2)
ref:Wo92
-1273300.0 -1362827.0 62.103 137.432
84.320000 40.750000 -16.530000 0.000000
600.00
montmorillonite-Mg Mg.495Al1.67Si4O12H2
Montm-Mg Mg(.495)Al(1.67)Si(4)O(12)H(2)
ref:Wo92
-1268590.0 -1357867.0 59.131 133.264
79.940000 39.610000 -16.630000 0.000000
600.00
montmorillonite-Na Na.33Mg.33Al1.67Si4O12H2
Montm-Na Na(.33)Mg(.33)Al(1.67)Si(4)O(12)H(2)
ref:Wo92
-1271210.0 -1360688.0 61.213 137.432
81.270000 40.130000 -16.870000 0.000000
600.00
montroydite HgO
montroy Hg(1)O(1)
ref:Bess05 16.Jun.05
-13998.0 -21711.6 16.8 19.32
8.33 7.37 0.0 0.000000
623.15
niccolite NiAs
nicc Ni(1)As(1)
ref:RG97 28.Jul.95
-16070.0 -17509.0 10.840 17.650
15.229000 1.544000 -2.054700 0.000000
900.00
nontronite-Ca Ca.165Fe2Al.33Si3.67O12H2
Nontr-Ca Ca(.165)Fe(2)Al(.33)Si(3.67)O(12)H(2)
ref:Wo92
-1079492.0 -1165643.0 66.350 131.100
78.190000 52.930000 -13.200000 0.000000
600.00
nontronite-Mg Mg.165Fe2Al.33Si3.67O12H2
Nontr-Mg Mg(.165)Fe(2)Al(.33)Si(3.67)O(12)H(2)
ref:Wo92
-1075647.0 -1162875.0 65.740 129.760
77.945000 53.040000 -13.190000 0.000000
600.00
nontronite-H H.33Fe2Al.33Si3.67O12H2
Nontr-H H(.33)Fe(2)Al(.33)Si(3.67)O(12)H(2)
ref:Wo92
-1058999.0 -500000.0 66.800 132.270
77.438000 54.110000 -12.940000 0.000000
600.00
nontronite-K K.33Fe2Al.33Si3.67O12H2
Nontr-K K(.33)Fe(2)Al(.33)Si(3.67)O(12)H(2)
ref:Wo92
-1080356.0 -1167879.0 68.570 135.270
79.319000 54.180000 -13.090000 0.000000
600.00
nontronite-Na Na.33Fe2Al.33Si3.67O12H2
Nontr-Na Na(.33)Fe(2)Al(.33)Si(3.67)O(12)H(2)
ref:Wo92
-1078271.0 -1165747.0 67.660 132.110
79.277000 53.560000 -13.420000 0.000000
600.00
orpiment As2S3
orp As(2)S(3)
ref:Bess05 16.Jun.05
-20550.0 -20693.1 39.10 70.5
22.73 13.82 0.605 0.000000
623.15
pentlandite Fe4.5Ni4.5S8
Pent Fe(4.5)Ni(4.5)S(8)
ref:RG97 3.Aug.95
-196226.0 -197473.0 118.030 157.240
86.539390 33.373000 -.000244 0.000000
900.00
pentlandite1 Fe4.5Ni4.5S8
pent1 Fe(4.5)Ni(4.5)S(8)
ref:RG97 3.Aug.95
-196226.0 -200041.0 109.410 157.240
86.539390 33.373000 -.000244 0.000000
900.00
pentlandite-Co Co9S8
Pec Co(9)S(8)
ref:RG97 27.jul.95
-199278.0 -203301.0 112.410 157.380
86.539000 33.373000 -.000244 0.000000
900.00
pentlandite-FE Fe9S8
Pef Fe(9)S(8)
ref:RG97 27.July.9
-218840.0 -222180.0 108.000 151.820
86.539000 33.373000 -.000244 0.000000
900.00
pentlandite-Fe2 Fe9S8
Pent-Fe2 Fe(9)S(8)
ref:RG97 27.Jul.95
-229063.0 -222180.0 142.290 151.820
86.539000 33.373000 -.000244 0.000000
900.00
pentlandite-Fe3 Fe9S8
Pent-Fe3 Fe(9)S(8)
ref:RG97 28.Jul.95
-218840.0 -211957.0 124.700 151.820
86.539000 33.373000 -.000244 0.000000
900.00
pentlandite-Ni Ni9S8
Pent-Ni Ni(9)S(8)
ref:RG97 27.July.95
-172790.0 -177900.0 107.820 156.974
86.539000 33.373000 -.000244 0.000000
900.00
PtTe PtTe
PtTe Pt(1)Te(1)
ref:RG97 27.Jul.95
-9300.0 -10000.0 19.400 32.270
11.335000 3.088000 -.000302 0.000000
900.00
realgar AsS
realg As(1)S(1)
ref:Bess05 16.Jun.05
-7930.0 -8833.4 12.96 29.8
12.94 -0.0133 1.396 0.000000
623.15
vysotskite PdS
vys Pd(1)S(1)
ref:RG97 13.Jul.95
-15938.0 -16892.0 13.490 20.980
9.965324 4.107939 -.729651 0.000000
900.00
senarmontite Sb2O3
senar Sb(2)O(3)
ref:Bess05 16.Jun.05
-151400.0 -171578.9 27.37 52.21
22.53 12.03 -3.179 0.000000
623.15
sepiolite Mg4Si6O15(OH)2(H2O)2*4H2O
Sep Mg(4)Si(6)O(23)H(14)
ref:ST88 Stoessell GCA 88+Stefansson H4SiO4
-2211851.0 -2418657.8 146.600 285.600
157.920000 104.300000 -18.680000 0.000000
800.00
sperrylite PtAs2
Spe Pt(1)As(2)
ref:RG97 25.Jul.95
-42200.0 -42200.0 27.000 29.230
.000000 .000000 .000000 0.000000
900.00
stibnite Sb2S3
stb Sb(2)S3
ref:Bess05 16.Jun.05
-35846.0 -32886.3 43.50 73.414
28.75 3.927 -1.264 0.000000
623.15
valentite Sb2O3
valent Sb(2)O(3)
ref:Bess05 16.Jun.05
-149600.0 -169164.8 29.43 50.01
24.840 10.2 -3.197 0.000000
623.15
mascagnite (NH4)2SO4
mascagnite N(2)S(1))O(4)H(8)
RH95 15.FEB.10
-215941.7 -282672.1 52.701 74.680
24.942639 66.634799 0.000000 0.000000
600.00
nitrate-Mg Mg(NO3)2
Mg-nitrate Mg(1)N(2)O(6)
RH95 15.FEB.10
-140822.2 -188957.9 39.197 62.930
13.961998 65.229446 0.452892 0.000000
600.00
nitrate-Ca Ca(NO3)2
Ca-nitrate Ca(1)N(2)O(6)
RH95 15.FEB.10
-177485.7 -224283.0 46.200 66.090
18.678298 41.443595 -6.639579 208.460803
800.00
nitrate-Sr Sr(NO3)2
Sr-nitrate Sr(1)N(2)O(6)
RH95 15.FEB.10
-186185.5 -233795.4 46.511 70.930
320.004780 -90.583174 61.560707 -5636.233270
900.00
nitrobarite Ba(NO3)2
nitrobarite Ba(1)N(2)O(6)
RH95 15.FEB.10
-190392.0 -237117.6 51.099 80.580
29.995220 35.779159 -3.991396 0.000000
800.00
niter KNO3
niter K(1)N(1)O(3)
RH95 15.FEB.10
-94311.7 -118188.3 31.812 48.040
129.060548 -45.752487 13.878759 -1866.000404
700.00
niter-Na NaNO3
soda-niter Na(1)N(1)O(3)
RH95 15.FEB.10
-94311.7 -118188.3 31.812 48.040
129.060548 -45.752487 13.878759 -1866.000404
700.00
niter-NH4 NH4NO3
ammonia-niter N(2)O(3)H(4)
RH95 15.FEB.10
-43929.3 -87380.5 36.114 46.490
3595.531596 -2136.495111 490.546900 -60038.50920
500.00
dawsonite_CpERR NaAlCO3(OH)2
dawsonite Na(1)Al(1)C(1)O(5)H(2)
RH95 15.FEB.10
-426864.2 -469407.3 31.549 59.300
8.224187 0.079995 0.001784 0.000000
500.00
dawsonite NaAlCO3(OH)2
dawsonite Na(1)Al(1)C(1)O(5)H(2)
RH95 11.FEB.20
-426864.2 -469407.3 31.549 59.300
8.224187 0.079995 1.784000 0.000000
500.00
trevorite NiFe2O4
trevorite Ni(1)Fe(2)O(4)
RH95 15.FEB.10
-230664.4 -255855.6 33.676 43.650
22.846558 40.750478 0.095411 0.000000
1000.00
bastnaesite-Ce Ce0.5La0.25Nd0.2Pr0.05CO3F
bast-Ce Ce(.5)La(.25)Nd(.2)Pr(.05)C(1)O(3)F(1)
Gysi15 30.Jun.15
-408628.1 -432218.0 36.066 42.91
32.098470 0.000000 -4.856597 0.000000
528.00
parisite-Ce CaCe.95La.6Nd.35Pr.1(CO3)3F2
paris-Ce CaCe(.95)La(.6)Nd(.35)Pr(.1)C(3)O(9)F(2)
Gysi15 30.Jun.15
-1092614.7 -1158699.8 93.595 122.710
95.315488 0.000000 -10.043021 -250.478011
643.00
dravite_orig NaMg3Al6Si6B3O27(OH4)
drv Na(1)Mg(3)Al(6)Si(6)B(3)O(31)H(4)
Ogor12 21.Nov.18
-3440965.6 -3672323.1 153.681 329.200
277.007648 19.120459 -86.496176 0.000000
973
schorl_orig NaFe3Al6Si6B3O27(OH4)
scl Na(1)Fe(3)Al(6)Si(6)B(3)O(31)H(4)
Ogor12 21.Nov.18
-3229684.5 -3452676.9 177.820 330.700
246.199809 83.986616 -70.124283 0.000000
973
uvite_orig CaMg3(Al5Mg)Si6B3O27(OH4)
uvt Ca(1)Mg(4)Al(5)Si(6)B(3)O(31)H(4)
Ogor12 21.Nov.18
-3488049.7 -3719168.3 154.159 334.200
281.142447 19.407266 -87.786807 0.000000
973
foitite-Mg_orig (Mg2Al)Al6Si6B3O27(OH4)
ftt-Mg Mg(2)Al(7)Si(6)B(3)O(31)H(4)
Ogor12 21.Nov.18
-3427581.3 -3656787.8 147.945 332.000
271.128107 18.714149 -84.655832 0.000000
973
elbaite_orig Na(Li1.5Al1.5)Al6Si6B3O27(OH)4
elb Na(1)Li(1.5)Al(7.5)Si(6)B(3)O(31)H(4)
Ogor12 21.Nov.18
-3429732.3 -3661328.9 150.335 325.000
222.968451 88.790631 -58.532505 0.000000
973
liddicoatite_orig Ca(Li2Al)Al6Si6B3O27(OH)4
ldc Ca(1)Li(2)Al(7)Si(6)B(3)O(31)H(4)
Ogor12 21.Nov.18
-3467495.2 -3698613.8 149.618 322.200
224.641491 89.459847 -58.962715 0.000000
973
dravite NaMg3Al6Si6B3O27(OH4)
drv Na(1)Mg(3)Al(6)Si(6)B(3)O(31)H(4)
Ogor12 21.Nov.18
-3440723.4 -3672081.0 153.681 329.200
277.007648 19.120459 -86.496176 0.000000
973
schorl NaFe3Al6Si6B3O27(OH4)
scl Na(1)Fe(3)Al(6)Si(6)B(3)O(31)H(4)
Ogor12 21.Nov.18
-3229281.0 -3452273.4 177.820 330.700
246.199809 83.986616 -70.124283 0.000000
973
uvite CaMg3(Al5Mg)Si6B3O27(OH4)
uvt Ca(1)Mg(4)Al(5)Si(6)B(3)O(31)H(4)
Ogor12 21.Nov.18
-3487722.7 -3718841.3 154.159 334.200
281.142447 19.407266 -87.786807 0.000000
973
foitite-Mg (Mg2Al)Al6Si6B3O27(OH4)
ftt-Mg Mg(2)Al(7)Si(6)B(3)O(31)H(4)
Ogor12 21.Nov.18
-3427306.8 -3656513.3 147.945 332.000
271.128107 18.714149 -84.655832 0.000000
973
elbaite Na(Li1.5Al1.5)Al6Si6B3O27(OH)4
elb Na(1)Li(1.5)Al(7.5)Si(6)B(3)O(31)H(4)
Ogor12 21.Nov.18
-3429459.7 -3661056.2 150.335 325.000
222.968451 88.790631 -58.532505 0.000000
973
liddicoatite Ca(Li2Al)Al6Si6B3O27(OH)4
ldc Ca(1)Li(2)Al(7)Si(6)B(3)O(31)H(4)
Ogor12 21.Nov.18
-3467127.6 -3698246.1 149.618 322.200
224.641491 89.459847 -58.962715 0.000000
973
akaganeite FeO2H
akg Fe(1)O(2)H(1)
akg2011 31.JAN.19
-114674.6 -130186.4 19.097 20.820
51.047321 3.013396 0.971723 -536.975861
1000.00
count = 175
************************************************************************
minerals that undergo two phase transitions
************************************************************************
bornite_orig Cu5FeS4
Bn Cu(5)Fe(1)S(4)
ref:1,16 5.May.78
-86704.0 -79922.0 99.290 98.600
49.760000 35.080000 -1.350000 485.00 1430.0 999999.000 999999.000
-34.310000 247.000000 0.000000 540.00 0.0 999999.000 999999.000
80.330000 -2.040000 0.000000
1200.00
bornite Cu5FeS4
Bn Cu(5)Fe(1)S(4)
ref:RSH94(MR1) 18.Jul.02
-94324.0 -88815.0 95.244 98.720
49.760000 35.080000 -1.350000 485.00 1430.0 999999.000 999999.000
-34.310000 247.000000 0.000000 540.00 0.0 999999.000 999999.000
80.330000 -2.040000 0.000000
1200.00
chalcocite_orig Cu2S
Cc Cu(2)S(1)
ref:1 5.May.78
-20626.0 -19000.0 28.900 27.480
12.630000 18.820000 0.000000 376.00 920.0 999999.000 999999.000
26.780000 -7.350000 0.000000 717.00 287.0 999999.000 999999.000
20.320000 0.000000 0.000000
1400.00
chalcocite Cu2S
Cc Cu(2)S(1)
ref:RSH94(MR1) 18.Jul.02
-21318.0 -20043.0 27.777 27.490
12.630000 18.820000 0.000000 376.00 920.0 999999.000 999999.000
26.780000 -7.350000 0.000000 717.00 287.0 999999.000 999999.000
20.320000 0.000000 0.000000
1400.00
chalcopyrite CuFeS2
cp Cu(1)Fe(1)S(2)
ref:1,16 5.May.78
-44900.0 -44453.0 31.150 42.830
20.790000 12.800000 -1.340000 830.00 2405.0 999999.000 999999.000
-141.400000 210.000000 0.000000 930.00 0.0 999999.000 999999.000
41.220000 0.000000 0.000000
1200.00
chalcopyrite_New CuFeS2
Cp_too_stable? Cu(1)Fe(1)S(2)
ref:RSH94(MR1) 18.Jul.02
-46616.0 -46589.0 29.852 43.920
20.790000 12.800000 -1.340000 830.00 2405.0 999999.000 999999.000
-141.400000 210.000000 0.000000 930.00 0.0 999999.000 999999.000
41.220000 0.000000 0.000000
1200.00
count = 6
************************************************************************
gases
************************************************************************
NO2,gas NO2
NO2,gas N(1)O(2)
RH95 15.FEB.10
12237.1 7911.1 57.385 0.000
23.352669 -1.839063 2.785374 -295.167728
2500.00
SO3,gas SO3
SO3,gas S(1)O(3)
RH95 15.FEB.10
-88671.1 -94574.6 61.377 0.000
33.475266 -2.947384 2.341121 -399.388015
2200.00
HCl,gas HCl,gas
HCl(g) H(1)Cl(1)
RH95 11.Oct.17
-22776.6 -22062.6 44.670 0.000
5.635125 1.555644 0.182195 11.410511
1000.00
HF,gas HF,gas
HF(g) H(1)F(1)
RH95 11.Oct.17
-65823.7 -65320.3 41.539 0.000
3.015421 1.965125 -0.795250 73.520570
1000.00