diff --git a/DESCRIPTION b/DESCRIPTION
index 79162bc..bf9938d 100644
--- a/DESCRIPTION
+++ b/DESCRIPTION
@@ -1,6 +1,6 @@
-Date: 2023-09-22
+Date: 2023-11-14
Package: CHNOSZ
-Version: 2.0.0-27
+Version: 2.0.0-28
Title: Thermodynamic Calculations and Diagrams for Geochemistry
Authors@R: c(
person("Jeffrey", "Dick", , "j3ffdick@gmail.com", role = c("aut", "cre"),
diff --git a/inst/NEWS.Rd b/inst/NEWS.Rd
index 654eecd..02add1f 100644
--- a/inst/NEWS.Rd
+++ b/inst/NEWS.Rd
@@ -12,7 +12,7 @@
% links to vignettes 20220723
\newcommand{\viglink}{\ifelse{html}{\out{#1.Rmd}}{\bold{#1.Rmd}}}
-\section{Changes in CHNOSZ version 2.0.0-26 (2023-09-19)}{
+\section{Changes in CHNOSZ version 2.0.0-28 (2023-11-14)}{
\itemize{
@@ -62,6 +62,12 @@
update several others (Arg\S{+}, Arg\S{-}, Asp\S{-}, Glu\S{-}, His\S{+},
Lys\S{+}, Lys\S{-}, and Tyr\S{-}). Thanks to Grayson Boyer.
+ \item In the default (inorganic_cr.csv) and optional (SUPCRT92.csv) data
+ files, remove T values that represent temperature limit of Cp equations
+ (these are now listed as NA). Temperatures of polymorphic phase
+ transitions and melting or decomposition temperatures (only available for
+ some minerals) have been retained. See FAQ for more details.
+
}
}
diff --git a/inst/extdata/OBIGT/SUPCRT92.csv b/inst/extdata/OBIGT/SUPCRT92.csv
index cbc8bfc..c42af5d 100644
--- a/inst/extdata/OBIGT/SUPCRT92.csv
+++ b/inst/extdata/OBIGT/SUPCRT92.csv
@@ -1,178 +1,178 @@
name,abbrv,formula,state,ref1,ref2,date,model,E_units,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
aegerine,Agt,NaFe(SiO3)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,36.7,NA,64.37,46.16,0.01931,-946000,0,0,0,0,950
aegerine,Agt,NaFe(SiO3)2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-82.386,NA,34.6051,NA,64.37,52.42,0.01001,-768000,0,0,0,0,1050
-aegerine,Agt,NaFe(SiO3)2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,478.346,NA,36.6502,NA,64.37,50.27,0.01089,-768000,0,0,0,0,1400
-akermanite,Ak,Ca2MgSi2O7,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-879362,-926497,50.03,NA,92.81,60.09,0.0114,-1140000,0,0,0,0,1700
+aegerine,Agt,NaFe(SiO3)2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,478.346,NA,36.6502,NA,64.37,50.27,0.01089,-768000,0,0,0,0,NA
+akermanite,Ak,Ca2MgSi2O7,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-879362,-926497,50.03,NA,92.81,60.09,0.0114,-1140000,0,0,0,0,NA
albite,Ab,Na(AlSi3)O8,cr,HDNB78,NA,1978-05-05,CGL,cal,-886308,-939680,49.51,NA,100.25,61.7,0.0139,-1501000,0,0,0,0,473
-albite,Ab,Na(AlSi3)O8,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-886096.268,NA,53.9193,NA,100.25,81.88,0.003554,-5015400,0,0,0,0,1200
+albite,Ab,Na(AlSi3)O8,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-886096.268,NA,53.9193,NA,100.25,81.88,0.003554,-5015400,0,0,0,0,NA
"albite,high",Hi-Ab,NaAlSi3O8,cr,HDNB78,NA,1978-05-05,CGL,cal,-884509,-937050,52.3,NA,100.43,61.7,0.0139,-1501000,0,0,0,0,623
-"albite,high",Hi-Ab,NaAlSi3O8,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-884768.678,NA,50.4797,NA,100.43,64.17,0.0139,-1501000,0,0,0,0,1400
-"albite,low",Lo-Ab,Na(AlSi3)O8,cr,HDNB78,NA,1978-05-05,CGL,cal,-886308,-939680,49.51,NA,100.07,61.7,0.0139,-1501000,0,0,0,0,1400
+"albite,high",Hi-Ab,NaAlSi3O8,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-884768.678,NA,50.4797,NA,100.43,64.17,0.0139,-1501000,0,0,0,0,NA
+"albite,low",Lo-Ab,Na(AlSi3)O8,cr,HDNB78,NA,1978-05-05,CGL,cal,-886308,-939680,49.51,NA,100.07,61.7,0.0139,-1501000,0,0,0,0,NA
almandine,Alm,Fe3Al2Si3O12,cr,HDNB78,RH95.3,2020-07-06,CGL,cal,-1181142,-1258293,81.88,82.05,115.28,97.52,0.03364,-1873000,0,0,0,0,848
-almandine,Alm,Fe3Al2Si3O12,cr2,HDNB78,OBIGT.1,2020-07-06,CGL,cal,-1181153.741,NA,78.21,NA,115.28,107.09,0.01486,-1063000,0,0,0,0,1600
+almandine,Alm,Fe3Al2Si3O12,cr2,HDNB78,OBIGT.1,2020-07-06,CGL,cal,-1181153.741,NA,78.21,NA,115.28,107.09,0.01486,-1063000,0,0,0,0,NA
"amesite,14A",14A-Am,Mg4Al2(Al2Si2)O10(OH)8,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,108.9,NA,205.4,172.59,0.03498,-4167000,0,0,0,0,848
-"amesite,14A",14A-Am,Mg4Al2(Al2Si2)O10(OH)8,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,3.895,NA,110.1233,NA,205.4,169.4,0.04124,-4437000,0,0,0,0,1000
-"amesite,7A",Ams-7A,Mg2Al(AlSi)O5(OH)4,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,52,NA,103,81.03,0.024738,-2023000,0,0,0,0,1000
-"amorphous silica",Amor-Sl,SiO2,cr,HDNB78,NA,1978-05-05,CGL,cal,-202892,-214568,14.34,NA,29,5.93,0.0472,-2278000,0,0,0,0,622
-analcime,Anl,NaAlSi2O6*H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,-738098,-790193,56,NA,97.1,53.49,0.02414,-888000,0,0,0,0,1000
-"analcime,dehydrated",Dhyd-Anl,NaAlSi2O6,cr,HDNB78,NA,1978-05-05,CGL,cal,-674989,-714678,41.9,NA,89.1,42.09,0.02414,-888000,0,0,0,0,1000
-andalusite,And,Al2SiO5,cr,HDNB78,NA,1978-05-05,CGL,cal,-580587,-615866,22.2,NA,51.53,41.310833,0.006292556,-1239206.3,0,0,0,0,1043
-andradite,Adr,Ca3Fe2Si3O12,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1296819,-1380345,70.13,NA,131.85,113.532,0.015636,-3088900,0,0,0,0,1100
-annite,Ann,KFe3(AlSi3)O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-1147156,-1232195,95.2,NA,154.32,106.43,0.02977,-1931000,0,0,0,0,1000
-anorthite,An,Ca(Al2Si2)O8,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-954078,-1007552,49.1,NA,100.79,63.311,0.014794,-1544000,0,0,0,0,1700
+"amesite,14A",14A-Am,Mg4Al2(Al2Si2)O10(OH)8,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,3.895,NA,110.1233,NA,205.4,169.4,0.04124,-4437000,0,0,0,0,NA
+"amesite,7A",Ams-7A,Mg2Al(AlSi)O5(OH)4,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,52,NA,103,81.03,0.024738,-2023000,0,0,0,0,NA
+"amorphous silica",Amor-Sl,SiO2,cr,HDNB78,NA,1978-05-05,CGL,cal,-202892,-214568,14.34,NA,29,5.93,0.0472,-2278000,0,0,0,0,NA
+analcime,Anl,NaAlSi2O6*H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,-738098,-790193,56,NA,97.1,53.49,0.02414,-888000,0,0,0,0,NA
+"analcime,dehydrated",Dhyd-Anl,NaAlSi2O6,cr,HDNB78,NA,1978-05-05,CGL,cal,-674989,-714678,41.9,NA,89.1,42.09,0.02414,-888000,0,0,0,0,NA
+andalusite,And,Al2SiO5,cr,HDNB78,NA,1978-05-05,CGL,cal,-580587,-615866,22.2,NA,51.53,41.310833,0.006292556,-1239206.3,0,0,0,0,NA
+andradite,Adr,Ca3Fe2Si3O12,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1296819,-1380345,70.13,NA,131.85,113.532,0.015636,-3088900,0,0,0,0,NA
+annite,Ann,KFe3(AlSi3)O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-1147156,-1232195,95.2,NA,154.32,106.43,0.02977,-1931000,0,0,0,0,NA
+anorthite,An,Ca(Al2Si2)O8,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-954078,-1007552,49.1,NA,100.79,63.311,0.014794,-1544000,0,0,0,0,NA
anthophyllite,Ath,Mg7Si8O22(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-2715430,-2888749,128.6,NA,264.4,180.682,0.060574,-3846200,0,0,0,0,903
anthophyllite,Ath,Mg7Si8O22(OH)2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-2718479.297,NA,108.796,NA,264.4,197.542,0.041614,-1334200,0,0,0,0,1258
-anthophyllite,Ath,Mg7Si8O22(OH)2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-2719529.932,NA,105.9454,NA,264.4,199.522,0.041614,-1334200,0,0,0,0,1800
+anthophyllite,Ath,Mg7Si8O22(OH)2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-2719529.932,NA,105.9454,NA,264.4,199.522,0.041614,-1334200,0,0,0,0,NA
antigorite,Atg,Mg48Si34O85(OH)62,cr,HDNB78,NA,1978-05-05,CGL,cal,-15808020,-17070891,861.36,NA,1749.13,1228.45,0.51376,-28668000,0,0,0,0,848
-antigorite,Atg,Mg48Si34O85(OH)62,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-15808027.845,NA,858.9133,NA,1749.13,1234.83,0.50124,-28128000,0,0,0,0,1000
-aragonite,Arg,CaCO3,cr,HDNB78,PB82,1990-03-09,CGL,cal,-269683,-288531,21.56,NA,34.15,20.13,0.01024,-334000,0,0,0,0,600
-boehmite,Bhm,AlO(OH),cr,HDNB78,NA,1978-05-05,CGL,cal,-217250,-235078,11.58,NA,19.535,14.435,0.0042,0,0,0,0,0,500
-brucite,Brc,Mg(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-199646,-221390,15.09,NA,24.63,24.147,0.0040124,-611000,0,0,0,0,900
-Ca-Al-pyroxene,Ca-Al-Px,CaAl(AlSi)O6,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-742067,-783793,35,NA,63.5,54.13,0.00642,-1490000,0,0,0,0,1400
+antigorite,Atg,Mg48Si34O85(OH)62,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-15808027.845,NA,858.9133,NA,1749.13,1234.83,0.50124,-28128000,0,0,0,0,NA
+aragonite,Arg,CaCO3,cr,HDNB78,PB82,1990-03-09,CGL,cal,-269683,-288531,21.56,NA,34.15,20.13,0.01024,-334000,0,0,0,0,NA
+boehmite,Bhm,AlO(OH),cr,HDNB78,NA,1978-05-05,CGL,cal,-217250,-235078,11.58,NA,19.535,14.435,0.0042,0,0,0,0,0,NA
+brucite,Brc,Mg(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-199646,-221390,15.09,NA,24.63,24.147,0.0040124,-611000,0,0,0,0,NA
+Ca-Al-pyroxene,Ca-Al-Px,CaAl(AlSi)O6,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-742067,-783793,35,NA,63.5,54.13,0.00642,-1490000,0,0,0,0,NA
Ca-phillipsite,Ca-Php,Ca(Al2Si5)O14*5H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,166.6,NA,265,145.82,0.05267,-1913000,0,0,0,0,848
-Ca-phillipsite,Ca-Php,Ca(Al2Si5)O14*5H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-3.895,NA,165.3767,NA,265,149.01,0.04641,-1643000,0,0,0,0,1000
-calcite,Cal,CaCO3,cr,HDNB78,PB82,1990-03-09,CGL,cal,-269880,-288552,22.15,NA,36.934,24.98,0.00524,-620000,0,0,0,0,1200
-celadonite,Cln,K(MgAl)Si4O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,74.9,NA,157.1,80.25,0.0253,-1854000,0,0,0,0,1000
-chabazite,Cbz,Ca(Al2Si4)O12*6H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,152.9,NA,247.76,146,0.04447,-1643000,0,0,0,0,1000
-chalcedony,Cha,SiO2,cr,HDNB78,NA,1978-05-05,CGL,cal,-204276,-217282,9.88,NA,22.688,11.22,0.0082,-270000,0,0,0,0,848
-chloritoid,Cld,FeAl2SiO5(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,42.1,NA,69.8,60.63,0.01713,-1363000,0,0,0,0,1000
-chrysotile,Ctl,Mg3Si2O5(OH)4,cr,HDNB78,NA,1978-05-05,CGL,cal,-964871,-1043123,52.9,NA,108.5,75.82,0.0316,-1758000,0,0,0,0,1000
-"clinochlore,14A",14A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr,HDNB78,NA,1978-05-05,CGL,cal,-1961703,-2116964,111.2,NA,207.11,166.5,0.0421,-3747000,0,0,0,0,900
+Ca-phillipsite,Ca-Php,Ca(Al2Si5)O14*5H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-3.895,NA,165.3767,NA,265,149.01,0.04641,-1643000,0,0,0,0,NA
+calcite,Cal,CaCO3,cr,HDNB78,PB82,1990-03-09,CGL,cal,-269880,-288552,22.15,NA,36.934,24.98,0.00524,-620000,0,0,0,0,NA
+celadonite,Cln,K(MgAl)Si4O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,74.9,NA,157.1,80.25,0.0253,-1854000,0,0,0,0,NA
+chabazite,Cbz,Ca(Al2Si4)O12*6H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,152.9,NA,247.76,146,0.04447,-1643000,0,0,0,0,NA
+chalcedony,Cha,SiO2,cr,HDNB78,NA,1978-05-05,CGL,cal,-204276,-217282,9.88,NA,22.688,11.22,0.0082,-270000,0,0,0,0,NA
+chloritoid,Cld,FeAl2SiO5(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,42.1,NA,69.8,60.63,0.01713,-1363000,0,0,0,0,NA
+chrysotile,Ctl,Mg3Si2O5(OH)4,cr,HDNB78,NA,1978-05-05,CGL,cal,-964871,-1043123,52.9,NA,108.5,75.82,0.0316,-1758000,0,0,0,0,NA
+"clinochlore,14A",14A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr,HDNB78,NA,1978-05-05,CGL,cal,-1961703,-2116964,111.2,NA,207.11,166.5,0.0421,-3747000,0,0,0,0,NA
"clinochlore,7A",7A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr,HDNB78,NA,1978-05-05,CGL,cal,-1957101,-2113197,106.5,NA,211.5,162.82,0.05062,-4088000,0,0,0,0,848
-"clinochlore,7A",7A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-1957104.895,NA,105.2767,NA,211.5,166.01,0.04436,-3818000,0,0,0,0,900
-clinozoisite,Czo,Ca2Al3Si3O12(OH),cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1549240,-1643781,70.64,NA,136.2,106.118,0.025214,-2714500,0,0,0,0,700
+"clinochlore,7A",7A-Cnc,Mg5Al(AlSi3)O10(OH)8,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-1957104.895,NA,105.2767,NA,211.5,166.01,0.04436,-3818000,0,0,0,0,NA
+clinozoisite,Czo,Ca2Al3Si3O12(OH),cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1549240,-1643781,70.64,NA,136.2,106.118,0.025214,-2714500,0,0,0,0,NA
coesite,Cos,SiO2,cr,HDNB78,NA,1978-05-05,CGL,cal,-203541,-216614,9.65,NA,20.641,11,0.0082,-270000,0,0,0,0,848
-coesite,Cos,SiO2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-203544.895,NA,8.4267,NA,20.641,14.19,0.00194,0,0,0,0,0,2000
-"cordierite,dry",Crd,Mg2Al3(AlSi5)O18,cr,HDNB78,NA,1978-05-05,CGL,cal,-2061279,-2183199,97.33,NA,233.22,143.83,0.0258,-3860000,0,0,0,0,1700
-"cordierite,hydrous",Hyd-Crd,Mg2Al3(AlSi5)O18*H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,-2121350,-2255676,111.43,NA,241.22,155.23,0.0258,-3860000,0,0,0,0,1700
-corundum,Crn,Al2O3,cr,HDNB78,NA,1978-05-05,CGL,cal,-374824,-397145,12.18,NA,25.575,27.49,0.00282,-838000,0,0,0,0,1800
+coesite,Cos,SiO2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-203544.895,NA,8.4267,NA,20.641,14.19,0.00194,0,0,0,0,0,NA
+"cordierite,dry",Crd,Mg2Al3(AlSi5)O18,cr,HDNB78,NA,1978-05-05,CGL,cal,-2061279,-2183199,97.33,NA,233.22,143.83,0.0258,-3860000,0,0,0,0,NA
+"cordierite,hydrous",Hyd-Crd,Mg2Al3(AlSi5)O18*H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,-2121350,-2255676,111.43,NA,241.22,155.23,0.0258,-3860000,0,0,0,0,NA
+corundum,Crn,Al2O3,cr,HDNB78,NA,1978-05-05,CGL,cal,-374824,-397145,12.18,NA,25.575,27.49,0.00282,-838000,0,0,0,0,NA
cristobalite,Crs,SiO2,cr,HDNB78,NA,1978-05-05,CGL,cal,-203895,-216755,10.372,NA,25.74,13.98,0.00334,-381000,0,0,0,0,543
-cristobalite,Crs,SiO2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-203677.53,-216037.379,12.0495,NA,25.74,17.39,0.00031,-989000,0,0,0,0,2000
-"cristobalite,alpha",A-Crs,SiO2,cr,HDNB78,NA,1978-05-05,CGL,cal,-203895,-216755,10.372,NA,25.74,13.98,0.00334,-381000,0,0,0,0,1000
-"cristobalite,beta",B-Crs,SiO2,cr,HDNB78,NA,1978-05-05,CGL,cal,-203290,-215675,11.963,NA,27.38,17.39,0.00031,-989000,0,0,0,0,2000
+cristobalite,Crs,SiO2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-203677.53,-216037.379,12.0495,NA,25.74,17.39,0.00031,-989000,0,0,0,0,NA
+"cristobalite,alpha",A-Crs,SiO2,cr,HDNB78,NA,1978-05-05,CGL,cal,-203895,-216755,10.372,NA,25.74,13.98,0.00334,-381000,0,0,0,0,NA
+"cristobalite,beta",B-Crs,SiO2,cr,HDNB78,NA,1978-05-05,CGL,cal,-203290,-215675,11.963,NA,27.38,17.39,0.00031,-989000,0,0,0,0,NA
"cronstedtite,7A",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,73.5,NA,110.9,84.79,0.04184,-1247600,0,0,0,0,950
"cronstedtite,7A",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-160.595,NA,69.3289,NA,110.9,97.3,0.02324,-893000,0,0,0,0,1050
-"cronstedtite,7A",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,957.096,NA,73.4065,NA,110.9,93.01,0.025,-893000,0,0,0,0,1500
-cummingtonite,Cum,Mg7Si8O22(OH)2,cr,HDNB78,NA,2015-08-16,CGL,cal,NA,NA,127.5,NA,271.9,185.24,0.05861,-4166000,0,0,0,0,800
-"daphnite,14A",Dph-14A,Fe5Al(AlSi3)O10(OH)8,cr,HDNB78,SLOP98.2,1978-05-05,CGL,cal,-1550482,-1695426,142.5,NA,213.42,176.21,0.04376,-3382000,0,0,0,0,1000
+"cronstedtite,7A",7A-Csd,Fe2Fe(FeSi)O5(OH)4,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,957.096,NA,73.4065,NA,110.9,93.01,0.025,-893000,0,0,0,0,NA
+cummingtonite,Cum,Mg7Si8O22(OH)2,cr,HDNB78,NA,2015-08-16,CGL,cal,NA,NA,127.5,NA,271.9,185.24,0.05861,-4166000,0,0,0,0,NA
+"daphnite,14A",Dph-14A,Fe5Al(AlSi3)O10(OH)8,cr,HDNB78,SLOP98.2,1978-05-05,CGL,cal,-1550482,-1695426,142.5,NA,213.42,176.21,0.04376,-3382000,0,0,0,0,NA
"daphnite,7A",7A-Dph,Fe5Al(AlSi3)O10(OH)8,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,138.9,NA,221.2,172.53,0.05228,-3723000,0,0,0,0,848
-"daphnite,7A",7A-Dph,Fe5Al(AlSi3)O10(OH)8,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,3.159,NA,137.726,NA,221.2,175.72,0.04602,-3463000,0,0,0,0,1000
-diaspore,Dsp,AlO(OH),cr,HDNB78,NA,1978-05-05,CGL,cal,-218402,-237170,8.43,NA,17.76,14.435,0.0042,0,0,0,0,0,500
-dickite,Dck,Al2Si2O5(OH)4,cr,HDNB78,RH95.3,2020-07-06,CGL,cal,-907266,-984345,47.11,57.26,99.3,72.77,0.0292,-2152000,0,0,0,0,1000
-diopside,Di,CaMg(SiO3)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-723780,-765378,34.2,NA,66.09,52.87,0.00784,-1574000,0,0,0,0,1600
-dolomite,Dol,CaMg(CO3)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-517760,-556631,37.09,NA,64.365,41.557,0.023952,-988400,0,0,0,0,1000
-"dolomite,disordered",Dis-Dol,CaMg(CO3)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-515653,-553704,39.84,NA,64.39,44.711,0.017779,-1094800,0,0,0,0,1000
-"dolomite,ordered",Ord-Dol,CaMg(CO3)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-517760,-556631,37.09,NA,64.34,44.711,0.017779,-1094800,0,0,0,0,1000
+"daphnite,7A",7A-Dph,Fe5Al(AlSi3)O10(OH)8,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,3.159,NA,137.726,NA,221.2,175.72,0.04602,-3463000,0,0,0,0,NA
+diaspore,Dsp,AlO(OH),cr,HDNB78,NA,1978-05-05,CGL,cal,-218402,-237170,8.43,NA,17.76,14.435,0.0042,0,0,0,0,0,NA
+dickite,Dck,Al2Si2O5(OH)4,cr,HDNB78,RH95.3,2020-07-06,CGL,cal,-907266,-984345,47.11,57.26,99.3,72.77,0.0292,-2152000,0,0,0,0,NA
+diopside,Di,CaMg(SiO3)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-723780,-765378,34.2,NA,66.09,52.87,0.00784,-1574000,0,0,0,0,NA
+dolomite,Dol,CaMg(CO3)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-517760,-556631,37.09,NA,64.365,41.557,0.023952,-988400,0,0,0,0,NA
+"dolomite,disordered",Dis-Dol,CaMg(CO3)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-515653,-553704,39.84,NA,64.39,44.711,0.017779,-1094800,0,0,0,0,NA
+"dolomite,ordered",Ord-Dol,CaMg(CO3)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-517760,-556631,37.09,NA,64.34,44.711,0.017779,-1094800,0,0,0,0,NA
edenite,Ed,Na(Ca2Mg5)(AlSi7)O22(OH2),cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,161,NA,271,199.71,0.04878,-4601000,0,0,0,0,848
-edenite,Ed,Na(Ca2Mg5)(AlSi7)O22(OH2),cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-3.895,NA,159.7767,NA,271,202.9,0.04252,-4331000,0,0,0,0,1000
+edenite,Ed,Na(Ca2Mg5)(AlSi7)O22(OH2),cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-3.895,NA,159.7767,NA,271,202.9,0.04252,-4331000,0,0,0,0,NA
enstatite,En,MgSiO3,cr,HDNB78,NA,1978-05-05,CGL,cal,-348930,-369686,16.2,NA,31.276,24.55,0.00474,-628000,0,0,0,0,903
enstatite,En,MgSiO3,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-349581.153,-371758.464,11.4328,NA,31.296,28.765,0,0,0,0,0,0,1258
-enstatite,En,MgSiO3,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-349546.21,-371843.59,11.0302,NA,32.386,29.26,0,0,0,0,0,0,1800
-epidote,Ep,Ca2FeAl2Si3O12(OH),cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1450906,-1543992,75.28,NA,139.2,117.622,0.012816,-3186400,0,0,0,0,1100
-"epidote,ordered",Ord-Ep,Ca2FeAl2Si3O12(OH),cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1450906,-1544016,75.2,NA,139.2,113.78,0.01469,-2892000,0,0,0,0,1100
+enstatite,En,MgSiO3,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-349546.21,-371843.59,11.0302,NA,32.386,29.26,0,0,0,0,0,0,NA
+epidote,Ep,Ca2FeAl2Si3O12(OH),cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1450906,-1543992,75.28,NA,139.2,117.622,0.012816,-3186400,0,0,0,0,NA
+"epidote,ordered",Ord-Ep,Ca2FeAl2Si3O12(OH),cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1450906,-1544016,75.2,NA,139.2,113.78,0.01469,-2892000,0,0,0,0,NA
epistilbite,Eps,Ca(Al2Si6)O16*5H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,152.9,NA,267.56,157.04,0.06087,-2183000,0,0,0,0,848
-epistilbite,Eps,Ca(Al2Si6)O16*5H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-7.845,NA,150.4533,NA,267.56,163.42,0.04835,-1643000,0,0,0,0,1000
-fayalite,Fa,Fe2SiO4,cr,HDNB78,NA,1978-05-05,CGL,cal,-330233,-354119,35.45,NA,46.39,36.51,0.00936,-670000,0,0,0,0,1490
+epistilbite,Eps,Ca(Al2Si6)O16*5H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-7.845,NA,150.4533,NA,267.56,163.42,0.04835,-1643000,0,0,0,0,NA
+fayalite,Fa,Fe2SiO4,cr,HDNB78,NA,1978-05-05,CGL,cal,-330233,-354119,35.45,NA,46.39,36.51,0.00936,-670000,0,0,0,0,NA
ferroedenite,Fe-Ed,Na(Ca2Fe5)(AlSi7)O22(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,193.7,NA,280.9,209.42,0.05044,-4236000,0,0,0,0,848
-ferroedenite,Fe-Ed,Na(Ca2Fe5)(AlSi7)O22(OH)2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-3.895,NA,192.4767,NA,280.9,212.61,0.04418,-3966000,0,0,0,0,1000
+ferroedenite,Fe-Ed,Na(Ca2Fe5)(AlSi7)O22(OH)2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-3.895,NA,192.4767,NA,280.9,212.61,0.04418,-3966000,0,0,0,0,NA
ferrogedrite,Fe-Ged,(Fe5Al2)(Al2Si6)O22(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,153.5,NA,265.9,196.27,0.05839,-3901000,0,0,0,0,903
ferrogedrite,Fe-Ged,(Fe5Al2)(Al2Si6)O22(OH)2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-1524.649,NA,143.598,NA,265.9,204.7,0.04891,-2645000,0,0,0,0,1258
-ferrogedrite,Fe-Ged,(Fe5Al2)(Al2Si6)O22(OH)2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-2049.966,NA,142.1727,NA,265.9,205.69,0.04891,-2645000,0,0,0,0,1500
-ferropargasite,Fe-Prg,Na(Ca2Fe4Al)(Al2Si6)O22(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-2526187,-2686900,185.5,NA,279.89,213.57,0.04299,-4729000,0,0,0,0,1000
+ferrogedrite,Fe-Ged,(Fe5Al2)(Al2Si6)O22(OH)2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-2049.966,NA,142.1727,NA,265.9,205.69,0.04891,-2645000,0,0,0,0,NA
+ferropargasite,Fe-Prg,Na(Ca2Fe4Al)(Al2Si6)O22(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-2526187,-2686900,185.5,NA,279.89,213.57,0.04299,-4729000,0,0,0,0,NA
ferrosilite,Fs,FeSiO3,cr,HDNB78,Hel85,1978-05-05,CGL,cal,-267588,-285658,21.63,NA,32.952,26.49,0.00507,-555000,0,0,0,0,413
-ferrosilite,Fs,FeSiO3,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-267566.749,-285550.307,21.9199,NA,33.008,23.865,0.00878,-470000,0,0,0,0,1400
-ferrotremolite,Fe-Tr,(Ca2Fe5)Si8O22(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-2349100,-2511300,163.5,NA,282.8,197.93,0.05895,-4117000,0,0,0,0,800
+ferrosilite,Fs,FeSiO3,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-267566.749,-285550.307,21.9199,NA,33.008,23.865,0.00878,-470000,0,0,0,0,NA
+ferrotremolite,Fe-Tr,(Ca2Fe5)Si8O22(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-2349100,-2511300,163.5,NA,282.8,197.93,0.05895,-4117000,0,0,0,0,NA
fluoredenite,Fl-Ed,Na(Ca2Mg5)(AlSi7)O22(F)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,146.7,NA,272.5,195.23,0.04674,-4492000,0,0,0,0,848
-fluoredenite,Fl-Ed,Na(Ca2Mg5)(AlSi7)O22(F)2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-3.895,NA,145.4767,NA,272.5,198.42,0.04048,-4222000,0,0,0,0,1000
-fluorite,Fl,CaF2,cr,HDNB78,NA,1978-05-05,CGL,cal,-280493,-293000,16.39,NA,24.542,14.3,0.00728,47000,0,0,0,0,1424
-fluorphlogopite,F-Phl,KMg3(AlSi3)O10(F)2,cr,HDNB78,RH95.4,2020-07-06,CGL,cal,-1437787,-1519001,80.38,NA,146.37,96.13,0.02674,-2041000,0,0,0,0,1000
-fluortremolite,F-Tr,(Ca2Mg5)Si8O22(F)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,129.4,NA,270.45,183.74,0.05525,-4373000,0,0,0,0,800
-forsterite,Fo,Mg2SiO4,cr,HDNB78,NA,1978-05-05,CGL,cal,-491564,-520000,22.75,NA,43.79,35.81,0.00654,-852000,0,0,0,0,1800
-gehlenite,Gh,Ca2(Al2Si)O7,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-903148,-951225,48.1,NA,90.24,63.74,0.008,-1512000,0,0,0,0,1800
-gibbsite,Gbs,Al(OH)3,cr,HDNB78,NA,1978-05-05,CGL,cal,-276168,-309065,16.75,NA,31.956,8.65,0.0456,0,0,0,0,0,425
-glaucophane,Gln,Na2(Mg3Al2)Si8O22(OH)2,cr,HDNB78,RH95.3,2020-07-06,CGL,cal,-2684226,-2859465,129.35,154.27,269.7,190.26,0.05936,-5001000,0,0,0,0,800
-greenalite,Grn,Fe3Si2O5(OH)4,cr,HDNB78,NA,1978-05-05,CGL,cal,-715340,-644110,72.6,NA,115,81.65,0.0326,-1539000,0,0,0,0,1000
-grossular,Grs,Ca3Al2Si3O12,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1496307,-1582737,60.87,NA,125.3,104.017,0.017013,-2731800,0,0,0,0,1000
-grunerite,Gru,Fe7Si8O22(OH)2,cr,HDNB78,RH95.3,2020-07-06,CGL,cal,-2142639,-2299952,173.28,162.78,256.67,198.83,0.06093,-3955000,0,0,0,0,800
-halloysite,Hal,Al2Si2O5(OH)4,cr,HDNB78,RH95.3,2020-11-10,CGL,cal,-903609,-980282,48.52,58.87,99.3,72.77,0.0292,-2152000,0,0,0,0,1000
+fluoredenite,Fl-Ed,Na(Ca2Mg5)(AlSi7)O22(F)2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-3.895,NA,145.4767,NA,272.5,198.42,0.04048,-4222000,0,0,0,0,NA
+fluorite,Fl,CaF2,cr,HDNB78,NA,1978-05-05,CGL,cal,-280493,-293000,16.39,NA,24.542,14.3,0.00728,47000,0,0,0,0,NA
+fluorphlogopite,F-Phl,KMg3(AlSi3)O10(F)2,cr,HDNB78,RH95.4,2020-07-06,CGL,cal,-1437787,-1519001,80.38,NA,146.37,96.13,0.02674,-2041000,0,0,0,0,NA
+fluortremolite,F-Tr,(Ca2Mg5)Si8O22(F)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,129.4,NA,270.45,183.74,0.05525,-4373000,0,0,0,0,NA
+forsterite,Fo,Mg2SiO4,cr,HDNB78,NA,1978-05-05,CGL,cal,-491564,-520000,22.75,NA,43.79,35.81,0.00654,-852000,0,0,0,0,NA
+gehlenite,Gh,Ca2(Al2Si)O7,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-903148,-951225,48.1,NA,90.24,63.74,0.008,-1512000,0,0,0,0,NA
+gibbsite,Gbs,Al(OH)3,cr,HDNB78,NA,1978-05-05,CGL,cal,-276168,-309065,16.75,NA,31.956,8.65,0.0456,0,0,0,0,0,NA
+glaucophane,Gln,Na2(Mg3Al2)Si8O22(OH)2,cr,HDNB78,RH95.3,2020-07-06,CGL,cal,-2684226,-2859465,129.35,154.27,269.7,190.26,0.05936,-5001000,0,0,0,0,NA
+greenalite,Grn,Fe3Si2O5(OH)4,cr,HDNB78,NA,1978-05-05,CGL,cal,-715340,-644110,72.6,NA,115,81.65,0.0326,-1539000,0,0,0,0,NA
+grossular,Grs,Ca3Al2Si3O12,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1496307,-1582737,60.87,NA,125.3,104.017,0.017013,-2731800,0,0,0,0,NA
+grunerite,Gru,Fe7Si8O22(OH)2,cr,HDNB78,RH95.3,2020-07-06,CGL,cal,-2142639,-2299952,173.28,162.78,256.67,198.83,0.06093,-3955000,0,0,0,0,NA
+halloysite,Hal,Al2Si2O5(OH)4,cr,HDNB78,RH95.3,2020-11-10,CGL,cal,-903609,-980282,48.52,58.87,99.3,72.77,0.0292,-2152000,0,0,0,0,NA
hastingsite,Hs,Na(Ca2Fe4Fe)(Al2Si6)O22(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,189.2,NA,280.3,211.57,0.05088,-4488000,0,0,0,0,950
hastingsite,Hs,Na(Ca2Fe4Fe)(Al2Si6)O22(OH)2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-79.315,NA,187.1167,NA,280.3,217.82,0.04158,-4310000,0,0,0,0,1050
-hastingsite,Hs,Na(Ca2Fe4Fe)(Al2Si6)O22(OH)2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,477.644,NA,189.1492,NA,280.3,215.68,0.04246,-4310000,0,0,0,0,1500
-hedenbergite,Hd,CaFe(SiO3)2,cr,HDNB78,SPRONS92.2,1990-03-05,CGL,cal,-638998,-678276,40.7,NA,68.27,54.81,0.00817,-1501000,0,0,0,0,1600
+hastingsite,Hs,Na(Ca2Fe4Fe)(Al2Si6)O22(OH)2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,477.644,NA,189.1492,NA,280.3,215.68,0.04246,-4310000,0,0,0,0,NA
+hedenbergite,Hd,CaFe(SiO3)2,cr,HDNB78,SPRONS92.2,1990-03-05,CGL,cal,-638998,-678276,40.7,NA,68.27,54.81,0.00817,-1501000,0,0,0,0,NA
hematite,Hem,Fe2O3,cr,HDNB78,NA,1978-05-05,CGL,cal,-178155,-197720,20.94,NA,30.274,23.49,0.0186,-355000,0,0,0,0,950
hematite,Hem,Fe2O3,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-178206.12,-198965.094,16.9353,NA,30.274,36,0,0,0,0,0,0,1050
-hematite,Hem,Fe2O3,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-177088.429,-196631.631,21.0129,NA,30.274,31.71,0.00176,0,0,0,0,0,1800
+hematite,Hem,Fe2O3,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-177088.429,-196631.631,21.0129,NA,30.274,31.71,0.00176,0,0,0,0,0,NA
heulandite,Hul,Ca(Al2Si7)O18*6H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,182.4,NA,316.37,179.66,0.06907,-2453000,0,0,0,0,848
-heulandite,Hul,Ca(Al2Si7)O18*6H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-11.741,NA,178.73,NA,316.37,189.23,0.05029,-1643000,0,0,0,0,1000
-jadeite,Jd,NaAl(SiO3)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-679445,-722116,31.9,NA,60.4,48.16,0.01142,-1187000,0,0,0,0,1400
-K-feldspar,K-Fs,K(AlSi3)O8,cr,HDNB78,NA,1978-05-05,CGL,cal,-895374,-949188,51.13,NA,108.87,76.617,0.004311,-2994500,0,0,0,0,1400
+heulandite,Hul,Ca(Al2Si7)O18*6H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-11.741,NA,178.73,NA,316.37,189.23,0.05029,-1643000,0,0,0,0,NA
+jadeite,Jd,NaAl(SiO3)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-679445,-722116,31.9,NA,60.4,48.16,0.01142,-1187000,0,0,0,0,NA
+K-feldspar,K-Fs,K(AlSi3)O8,cr,HDNB78,NA,1978-05-05,CGL,cal,-895374,-949188,51.13,NA,108.87,76.617,0.004311,-2994500,0,0,0,0,NA
K-phillipsite,K-Php,K2(Al2Si5)O14*5H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,172.1,NA,265,152.66,0.06024,-1845000,0,0,0,0,848
-K-phillipsite,K-Php,K2(Al2Si5)O14*5H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-3.895,NA,170.8767,NA,265,155.85,0.05398,-1575000,0,0,0,0,1000
+K-phillipsite,K-Php,K2(Al2Si5)O14*5H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-3.895,NA,170.8767,NA,265,155.85,0.05398,-1575000,0,0,0,0,NA
kalsilite,Kls,K(AlSi)O4,cr,HDNB78,NA,1978-05-05,CGL,cal,-481750,-509408,31.85,NA,59.89,29.43,0.01736,-532000,0,0,0,0,810
-kalsilite,Kls,K(AlSi)O4,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-482526.312,-512142.073,25.2837,NA,59.89,42.5,0,0,0,0,0,0,1800
-kaolinite,Kln,Al2Si2O5(OH)4,cr,HDNB78,NA,1978-05-05,CGL,cal,-905614,-982221,48.53,NA,99.52,72.77,0.0292,-2152000,0,0,0,0,1000
-kyanite,Ky,Al2SiO5,cr,HDNB78,NA,1978-05-05,CGL,cal,-580956,-616897,20,NA,44.09,41.393132,0.006816463,-1288210.4,0,0,0,0,466
+kalsilite,Kls,K(AlSi)O4,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-482526.312,-512142.073,25.2837,NA,59.89,42.5,0,0,0,0,0,0,NA
+kaolinite,Kln,Al2Si2O5(OH)4,cr,HDNB78,NA,1978-05-05,CGL,cal,-905614,-982221,48.53,NA,99.52,72.77,0.0292,-2152000,0,0,0,0,NA
+kyanite,Ky,Al2SiO5,cr,HDNB78,NA,1978-05-05,CGL,cal,-580956,-616897,20,NA,44.09,41.393132,0.006816463,-1288210.4,0,0,0,0,NA
larnite,Lrn,Ca2SiO4,cr,HDNB78,RH95.5,2020-07-06,CGL,cal,-523709,-551315,30.5,NA,51.6,34.87,0.00974,-626000,0,0,0,0,970
larnite,Lrn,Ca2SiO4,cr2,HDNB78,OBIGT.1,2020-07-06,CGL,cal,-523329.235,NA,30.1022,NA,51.6,32.16,0.01102,0,0,0,0,0,1710
-larnite,Lrn,Ca2SiO4,cr3,HDNB78,OBIGT.1,2020-07-06,CGL,cal,-524553.027,NA,18.2296,NA,51.6,49,0,0,0,0,0,0,2000
-laumontite,lamt,Ca(Al2Si4)O12*4H2O,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1596823,-1728664,116.1,NA,207.55,123.2,0.04447,-1643000,0,0,0,0,1000
+larnite,Lrn,Ca2SiO4,cr3,HDNB78,OBIGT.1,2020-07-06,CGL,cal,-524553.027,NA,18.2296,NA,51.6,49,0,0,0,0,0,0,NA
+laumontite,lamt,Ca(Al2Si4)O12*4H2O,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1596823,-1728664,116.1,NA,207.55,123.2,0.04447,-1643000,0,0,0,0,NA
lawsonite,Lws,CaAl2Si2O7(OH)2*H2O,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1073408,-1158104,55.8,NA,101.32,81.8,0.02336,-1626000,0,0,0,0,848
-lawsonite,Lws,CaAl2Si2O7(OH)2*H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-1073411.895,NA,54.5767,NA,101.32,84.99,0.0171,-1356000,0,0,0,0,1000
-leonhardite,Lnr,Ca2(Al4Si8)O24*7H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,220.4,NA,407.86,235,0.08894,-3286000,0,0,0,0,1000
-lime,Lim,CaO,cr,HDNB78,NA,1978-05-05,CGL,cal,-144366,-151790,9.5,NA,16.764,11.67,0.00108,-156000,0,0,0,0,2000
+lawsonite,Lws,CaAl2Si2O7(OH)2*H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-1073411.895,NA,54.5767,NA,101.32,84.99,0.0171,-1356000,0,0,0,0,NA
+leonhardite,Lnr,Ca2(Al4Si8)O24*7H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,220.4,NA,407.86,235,0.08894,-3286000,0,0,0,0,NA
+lime,Lim,CaO,cr,HDNB78,NA,1978-05-05,CGL,cal,-144366,-151790,9.5,NA,16.764,11.67,0.00108,-156000,0,0,0,0,NA
magnesiohastingsite,Mg-Hs,Na(Ca2Mg4Fe)(Al2Si6)O22(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,163.8,NA,273.8,203.8,0.04955,-4780000,0,0,0,0,950
magnesiohastingsite,Mg-Hs,Na(Ca2Mg4Fe)(Al2Si6)O22(OH)2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-247.815,NA,161.0793,NA,273.8,210.6,0.04025,-4602000,0,0,0,0,1050
-magnesiohastingsite,Mg-Hs,Na(Ca2Mg4Fe)(Al2Si6)O22(OH)2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,516.199,NA,163.8042,NA,273.8,207.91,0.04113,-4602000,0,0,0,0,1500
+magnesiohastingsite,Mg-Hs,Na(Ca2Mg4Fe)(Al2Si6)O22(OH)2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,516.199,NA,163.8042,NA,273.8,207.91,0.04113,-4602000,0,0,0,0,NA
magnesioriebeckite,Mg-Rbk,Na2(Mg3Fe2)Si8O22(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,138,NA,271.3,186.26,0.07514,-4518000,0,0,0,0,950
magnesioriebeckite,Mg-Rbk,Na2(Mg3Fe2)Si8O22(OH)2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-160.892,NA,133.8269,NA,271.3,198.77,0.05654,-4163000,0,0,0,0,1050
-magnesioriebeckite,Mg-Rbk,Na2(Mg3Fe2)Si8O22(OH)2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,956.799,NA,137.9045,NA,271.3,194.48,0.0583,-4163000,0,0,0,0,1500
-magnesite,Mgs,MgCO3,cr,HDNB78,NA,1978-05-05,CGL,cal,-245658,-265630,15.7,NA,28.018,19.731,0.012539,-474800,0,0,0,0,1000
+magnesioriebeckite,Mg-Rbk,Na2(Mg3Fe2)Si8O22(OH)2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,956.799,NA,137.9045,NA,271.3,194.48,0.0583,-4163000,0,0,0,0,NA
+magnesite,Mgs,MgCO3,cr,HDNB78,NA,1978-05-05,CGL,cal,-245658,-265630,15.7,NA,28.018,19.731,0.012539,-474800,0,0,0,0,NA
magnetite,Mag,Fe3O4,cr,HDNB78,NA,1978-05-05,CGL,cal,-242574,-267250,34.83,NA,44.524,21.88,0.0482,0,0,0,0,0,900
-magnetite,Mag,Fe3O4,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-240960.953,NA,34.9818,NA,44.524,48,0,0,0,0,0,0,1800
+magnetite,Mag,Fe3O4,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-240960.953,NA,34.9818,NA,44.524,48,0,0,0,0,0,0,NA
margarite,Mrg,CaAl2(Al2Si2)O10(OH)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1394150,-1485803,63.8,NA,129.4,102.5,0.01635,-2805000,0,0,0,0,848
-margarite,Mrg,CaAl2(Al2Si2)O10(OH)2,cr2,HDNB78,OBIGT.1,1990-03-15,CGL,cal,-1394146.105,NA,65.0233,NA,129.4,99.31,0.02261,-3075000,0,0,0,0,1000
-merwinite,Mer,Ca3Mg(SiO4)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1036526,-1090796,60.5,NA,104.4,72.97,0.01196,-1444000,0,0,0,0,1700
-"microcline,maximum",Max-Mc,K(AlSi3)O8,cr,HDNB78,NA,1978-05-05,CGL,cal,-895374,-949188,51.13,NA,108.741,63.83,0.0129,-1705000,0,0,0,0,1400
-minnesotaite,Mnn,Fe3Si4O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,83.5,NA,147.86,88.31,0.04261,-1115000,0,0,0,0,800
-monticellite,Mtc,CaMgSiO4,cr,HDNB78,NA,1978-05-05,CGL,cal,-512829,-540800,26.4,NA,51.47,36.82,0.00534,-800000,0,0,0,0,1400
-muscovite,Ms,KAl2(AlSi3)O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-1336301,-1427408,68.8,NA,140.71,97.56,0.02638,-2544000,0,0,0,0,1000
+margarite,Mrg,CaAl2(Al2Si2)O10(OH)2,cr2,HDNB78,OBIGT.1,1990-03-15,CGL,cal,-1394146.105,NA,65.0233,NA,129.4,99.31,0.02261,-3075000,0,0,0,0,NA
+merwinite,Mer,Ca3Mg(SiO4)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1036526,-1090796,60.5,NA,104.4,72.97,0.01196,-1444000,0,0,0,0,NA
+"microcline,maximum",Max-Mc,K(AlSi3)O8,cr,HDNB78,NA,1978-05-05,CGL,cal,-895374,-949188,51.13,NA,108.741,63.83,0.0129,-1705000,0,0,0,0,NA
+minnesotaite,Mnn,Fe3Si4O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,83.5,NA,147.86,88.31,0.04261,-1115000,0,0,0,0,NA
+monticellite,Mtc,CaMgSiO4,cr,HDNB78,NA,1978-05-05,CGL,cal,-512829,-540800,26.4,NA,51.47,36.82,0.00534,-800000,0,0,0,0,NA
+muscovite,Ms,KAl2(AlSi3)O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-1336301,-1427408,68.8,NA,140.71,97.56,0.02638,-2544000,0,0,0,0,NA
Na-phillipsite,Na-Php,Na2(Al2Si5)O14*5H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,172.4,NA,265,152.4,0.05648,-2046000,0,0,0,0,848
-Na-phillipsite,Na-Php,Na2(Al2Si5)O14*5H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-3.895,NA,171.1767,NA,265,155.59,0.05022,-1776000,0,0,0,0,1000
+Na-phillipsite,Na-Php,Na2(Al2Si5)O14*5H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-3.895,NA,171.1767,NA,265,155.59,0.05022,-1776000,0,0,0,0,NA
natrolite,Ntr,Na2(Al2Si3)O10*2H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,101.6,NA,169.72,95.76,0.04008,-1506000,0,0,0,0,848
-natrolite,Ntr,Na2(Al2Si3)O10*2H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,3.895,NA,102.8233,NA,169.72,92.57,0.04634,-1776000,0,0,0,0,1000
-nepheline,Ne,Na(AlSi)O4,cr,HDNB78,NA,1978-05-05,CGL,cal,-472872,-500241,29.72,NA,54.16,35.908062,0.006457918,-732796.5,0,0,0,0,1500
-paragonite,Pg,NaAl2(AlSi3)O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-1326012,-1416963,66.4,NA,132.53,97.43,0.0245,-2644000,0,0,0,0,1000
-pargasite,Prg,Na(Ca2Mg4Al)(Al2Si6)O22(OH)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-2846728,-3016624,160,NA,273.5,205.8,0.04166,-5021000,0,0,0,0,1000
+natrolite,Ntr,Na2(Al2Si3)O10*2H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,3.895,NA,102.8233,NA,169.72,92.57,0.04634,-1776000,0,0,0,0,NA
+nepheline,Ne,Na(AlSi)O4,cr,HDNB78,NA,1978-05-05,CGL,cal,-472872,-500241,29.72,NA,54.16,35.908062,0.006457918,-732796.5,0,0,0,0,NA
+paragonite,Pg,NaAl2(AlSi3)O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-1326012,-1416963,66.4,NA,132.53,97.43,0.0245,-2644000,0,0,0,0,NA
+pargasite,Prg,Na(Ca2Mg4Al)(Al2Si6)O22(OH)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-2846728,-3016624,160,NA,273.5,205.8,0.04166,-5021000,0,0,0,0,NA
PD-oxyannite,Pd-Oxn,KFe3(AlSi3)O10(OH)O-,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,68.5,NA,143.2,88.34,0.05412,-1806000,0,0,0,0,848
PD-oxyannite,Pd-Oxn,KFe3(AlSi3)O10(OH)O-,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-11.741,NA,64.83,NA,143.2,97.91,0.03534,-996000,0,0,0,0,950
PD-oxyannite,Pd-Oxn,KFe3(AlSi3)O10(OH)O-,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-255.019,NA,58.562,NA,143.2,116.68,0.00744,-463000,0,0,0,0,1050
-PD-oxyannite,Pd-Oxn,KFe3(AlSi3)O10(OH)O-,cr4,HDNB78,OBIGT.1,1978-05-05,CGL,cal,1423.403,NA,64.6847,NA,143.2,110.24,0.01008,-463000,0,0,0,0,1100
-periclase,Per,MgO,cr,HDNB78,NA,1978-05-05,CGL,cal,-136086,-143800,6.44,NA,11.248,10.18,0.00174,-148000,0,0,0,0,2100
-phlogopite,Phl,KMg3(AlSi3)O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-1396187,-1488067,76.1,NA,149.66,100.61,0.02878,-2150000,0,0,0,0,1000
+PD-oxyannite,Pd-Oxn,KFe3(AlSi3)O10(OH)O-,cr4,HDNB78,OBIGT.1,1978-05-05,CGL,cal,1423.403,NA,64.6847,NA,143.2,110.24,0.01008,-463000,0,0,0,0,NA
+periclase,Per,MgO,cr,HDNB78,NA,1978-05-05,CGL,cal,-136086,-143800,6.44,NA,11.248,10.18,0.00174,-148000,0,0,0,0,NA
+phlogopite,Phl,KMg3(AlSi3)O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-1396187,-1488067,76.1,NA,149.66,100.61,0.02878,-2150000,0,0,0,0,NA
prehnite,Prh,Ca2Al2Si3O10(OH)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1390097,-1481649,65,NA,140.33,91.6,0.03782,-1960000,0,0,0,0,848
-prehnite,Prh,Ca2Al2Si3O10(OH)2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-1390108.741,NA,61.33,NA,140.33,101.17,0.01904,-1150000,0,0,0,0,1000
+prehnite,Prh,Ca2Al2Si3O10(OH)2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-1390108.741,NA,61.33,NA,140.33,101.17,0.01904,-1150000,0,0,0,0,NA
pyrope,Prp,Mg3Al2Si3O12,cr,HDNB78,RH95.3,2020-07-06,CGL,cal,-1418380,-1502151,63.64,77.86,113.27,91.69,0.03264,-2092000,0,0,0,0,848
-pyrope,Prp,Mg3Al2Si3O12,cr2,HDNB78,OBIGT.1,2020-07-06,CGL,cal,-1418391.741,NA,59.97,NA,113.27,101.26,0.01386,-1282000,0,0,0,0,1800
-pyrophyllite,Prl,Al2Si4O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-1255997,-1345313,57.2,NA,126.6,79.432,0.039214,-1728200,0,0,0,0,800
+pyrope,Prp,Mg3Al2Si3O12,cr2,HDNB78,OBIGT.1,2020-07-06,CGL,cal,-1418391.741,NA,59.97,NA,113.27,101.26,0.01386,-1282000,0,0,0,0,NA
+pyrophyllite,Prl,Al2Si4O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-1255997,-1345313,57.2,NA,126.6,79.432,0.039214,-1728200,0,0,0,0,NA
quartz,Qtz,SiO2,cr,HDNB78,NA,1978-05-05,CGL,cal,-204646,-217650,9.88,NA,22.688,11.22,0.0082,-270000,0,0,0,0,848
-quartz,Qtz,SiO2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-204461.901,-217728.651,8.9986,NA,23.06,14.41,0.00194,0,0,0,0,0,2000
-richterite,Rct,Na2(CaMg5)Si8O22(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,137.6,NA,272.8,194.8,0.0611,-4615000,0,0,0,0,800
+quartz,Qtz,SiO2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-204461.901,-217728.651,8.9986,NA,23.06,14.41,0.00194,0,0,0,0,0,NA
+richterite,Rct,Na2(CaMg5)Si8O22(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,137.6,NA,272.8,194.8,0.0611,-4615000,0,0,0,0,NA
riebeckite,Rbk,Na2(Fe3Fe2)Si8O22(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,156.6,NA,274.9,192.09,0.07614,-4299000,0,0,0,0,950
riebeckite,Rbk,Na2(Fe3Fe2)Si8O22(OH)2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-160.892,NA,152.4269,NA,274.9,204.6,0.05754,-3944000,0,0,0,0,1050
-riebeckite,Rbk,Na2(Fe3Fe2)Si8O22(OH)2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,956.799,NA,156.5045,NA,274.9,200.31,0.0593,-3944000,0,0,0,0,1500
-"sanidine,high",Hi-Sa,K(AlSi3)O8,cr,HDNB78,NA,1978-05-05,CGL,cal,-893738,-946538,54.53,NA,109.008,63.83,0.0129,-1705000,0,0,0,0,1400
-sepiolite,Sep,Mg4Si6O15(OH)2(H2O)2*4H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,-2211192,-2418000,146.6,NA,285.6,157.92,0.1043,-1868000,0,0,0,0,800
-sillimanite,Sil,Al2SiO5,cr,HDNB78,NA,1978-05-05,CGL,cal,-580091,-615099,23.13,NA,49.9,40.023988,0.007390511,-1167405.3,0,0,0,0,1200
+riebeckite,Rbk,Na2(Fe3Fe2)Si8O22(OH)2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,956.799,NA,156.5045,NA,274.9,200.31,0.0593,-3944000,0,0,0,0,NA
+"sanidine,high",Hi-Sa,K(AlSi3)O8,cr,HDNB78,NA,1978-05-05,CGL,cal,-893738,-946538,54.53,NA,109.008,63.83,0.0129,-1705000,0,0,0,0,NA
+sepiolite,Sep,Mg4Si6O15(OH)2(H2O)2*4H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,-2211192,-2418000,146.6,NA,285.6,157.92,0.1043,-1868000,0,0,0,0,NA
+sillimanite,Sil,Al2SiO5,cr,HDNB78,NA,1978-05-05,CGL,cal,-580091,-615099,23.13,NA,49.9,40.023988,0.007390511,-1167405.3,0,0,0,0,NA
spessartine,Sps,Mn3Al2Si3O12,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,74.5,NA,117.9,94.48,0.03324,-1912000,0,0,0,0,848
-spessartine,Sps,Mn3Al2Si3O12,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-11.741,NA,70.83,NA,117.9,104.05,0.01446,-1102000,0,0,0,0,1800
-spinel,Spn,MgAl2O4,cr,HDNB78,NA,1978-05-05,CGL,cal,-517006,-546847,19.27,NA,39.71,36.772808,0.006415456,-970879.2,0,0,0,0,2000
-staurolite,St,Fe2Al9Si4O23(OH),cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,117.1,NA,224.4,207.12,0.03694,-5722000,0,0,0,0,1000
+spessartine,Sps,Mn3Al2Si3O12,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-11.741,NA,70.83,NA,117.9,104.05,0.01446,-1102000,0,0,0,0,NA
+spinel,Spn,MgAl2O4,cr,HDNB78,NA,1978-05-05,CGL,cal,-517006,-546847,19.27,NA,39.71,36.772808,0.006415456,-970879.2,0,0,0,0,NA
+staurolite,St,Fe2Al9Si4O23(OH),cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,117.1,NA,224.4,207.12,0.03694,-5722000,0,0,0,0,NA
stilbite,Stb,NaCa2(Al5Si13)O36*14H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,NA,NA,399.3,NA,649.91,390.55,0.13768,-4984000,0,0,0,0,848
-stilbite,Stb,NaCa2(Al5Si13)O36*14H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-11.741,NA,395.63,NA,649.91,400.12,0.1189,-4174000,0,0,0,0,1000
-talc,Tcl,Mg3Si4O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-1320188,-1410920,62.34,NA,136.25,82.482,0.041614,-1334200,0,0,0,0,800
-tremolite,Tr,(Ca2Mg5)Si8O22(OH)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-2770245,-2944038,131.19,NA,272.92,188.222,0.057294,-4482200,0,0,0,0,800
-wairakite,Wai,Ca(Al2Si4)O12*2H2O,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1477432,-1579333,105.1,NA,186.87,100.4,0.04447,-1643000,0,0,0,0,1000
-wollastonite,Wo,CaSiO3,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-369225,-389590,19.6,NA,39.93,26.64,0.0036,-652000,0,0,0,0,1400
-zoisite,Zo,Ca2Al3Si3O12(OH),cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1549179,-1643691,70.74,NA,135.9,106.118,0.025214,-2714500,0,0,0,0,700
-rutile,TiO2,TiO2,cr,RHF78.4,BH83,1992-03-31,CGL,cal,-212883,-226101,12.02,NA,18.82,15.01442,0.002720501,-236536.4,0,0,0,0,1800
-titanite,Ti-SPHENE,CaTiSiO5,cr,RHF78.4,SPRONS92.1,1992-03-31,CGL,cal,-587349,-621180,30.88,NA,55.65,42.23422,0.005703951,-952503.8,0,0,0,0,1800
+stilbite,Stb,NaCa2(Al5Si13)O36*14H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-11.741,NA,395.63,NA,649.91,400.12,0.1189,-4174000,0,0,0,0,NA
+talc,Tcl,Mg3Si4O10(OH)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-1320188,-1410920,62.34,NA,136.25,82.482,0.041614,-1334200,0,0,0,0,NA
+tremolite,Tr,(Ca2Mg5)Si8O22(OH)2,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-2770245,-2944038,131.19,NA,272.92,188.222,0.057294,-4482200,0,0,0,0,NA
+wairakite,Wai,Ca(Al2Si4)O12*2H2O,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1477432,-1579333,105.1,NA,186.87,100.4,0.04447,-1643000,0,0,0,0,NA
+wollastonite,Wo,CaSiO3,cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-369225,-389590,19.6,NA,39.93,26.64,0.0036,-652000,0,0,0,0,NA
+zoisite,Zo,Ca2Al3Si3O12(OH),cr,HDNB78,SPRONS92.2,1990-03-15,CGL,cal,-1549179,-1643691,70.74,NA,135.9,106.118,0.025214,-2714500,0,0,0,0,NA
+rutile,TiO2,TiO2,cr,RHF78.4,BH83,1992-03-31,CGL,cal,-212883,-226101,12.02,NA,18.82,15.01442,0.002720501,-236536.4,0,0,0,0,NA
+titanite,Ti-SPHENE,CaTiSiO5,cr,RHF78.4,SPRONS92.1,1992-03-31,CGL,cal,-587349,-621180,30.88,NA,55.65,42.23422,0.005703951,-952503.8,0,0,0,0,NA
diff --git a/inst/extdata/OBIGT/inorganic_cr.csv b/inst/extdata/OBIGT/inorganic_cr.csv
index 1e470c7..8b542b6 100644
--- a/inst/extdata/OBIGT/inorganic_cr.csv
+++ b/inst/extdata/OBIGT/inorganic_cr.csv
@@ -1,121 +1,121 @@
name,abbrv,formula,state,ref1,ref2,date,model,E_units,G,H,S,Cp,V,a1.a,a2.b,a3.c,a4.d,c1.e,c2.f,omega.lambda,z.T
acanthite,Acn,Ag2S,cr,HDNB78,NA,1978-05-05,CGL,cal,-9446,-7550,34.3,NA,34.2,15.63,0.0086,0,0,0,0,0,450
acanthite,Acn,Ag2S,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-9235.197,-7024.866,35.3543,NA,34.2,1.819,0.053,0,0,0,0,0,620
-acanthite,Acn,Ag2S,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-8227.324,-4960.457,38.898,NA,34.2,21.6,0,0,0,0,0,0,1000
-alabandite,Alb,MnS,cr,HDNB78,NA,1978-05-05,CGL,cal,-52178,-51000,19.2,NA,21.46,11.4,0.0018,0,0,0,0,0,1803
-alunite,Alu,KAl3(OH)6(SO4)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-1113600,-1235600,78.4,NA,293.6,153.45,0,-5495000,0,0,0,0,650
-anglesite,Ang,PbSO4,cr,HDNB78,NA,1978-05-05,CGL,cal,-194353,-219870,35.51,NA,47.95,10.96,0.031,420000,0,0,0,0,1100
-anhydrite,Anh,CaSO4,cr,HDNB78,NA,1978-05-05,CGL,cal,-315925,-342760,25.5,NA,45.94,16.78,0.0236,0,0,0,0,0,1453
-artinite,Art,Mg2(OH)2(CO3)*3H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,-613915,-698043,55.67,NA,96.9,70.87,0.02766,-743000,0,0,0,0,1000
-azurite,Azr,Cu3(OH)2(CO3)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-334417,-390100,66.97,NA,91.01,36.88,0.07744,-92000,0,0,0,0,780
-barite,Brt,BaSO4,cr,HDNB78,NA,1978-05-05,CGL,cal,-325563,-352100,31.6,NA,52.1,33.8,0,-843000,0,0,0,0,1422
+acanthite,Acn,Ag2S,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-8227.324,-4960.457,38.898,NA,34.2,21.6,0,0,0,0,0,0,NA
+alabandite,Alb,MnS,cr,HDNB78,NA,1978-05-05,CGL,cal,-52178,-51000,19.2,NA,21.46,11.4,0.0018,0,0,0,0,0,NA
+alunite,Alu,KAl3(OH)6(SO4)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-1113600,-1235600,78.4,NA,293.6,153.45,0,-5495000,0,0,0,0,NA
+anglesite,Ang,PbSO4,cr,HDNB78,NA,1978-05-05,CGL,cal,-194353,-219870,35.51,NA,47.95,10.96,0.031,420000,0,0,0,0,NA
+anhydrite,Anh,CaSO4,cr,HDNB78,RH95.7,1978-05-05,CGL,cal,-315925,-342760,25.5,NA,45.94,16.78,0.0236,0,0,0,0,0,1723
+artinite,Art,Mg2(OH)2(CO3)*3H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,-613915,-698043,55.67,NA,96.9,70.87,0.02766,-743000,0,0,0,0,NA
+azurite,Azr,Cu3(OH)2(CO3)2,cr,HDNB78,NA,1978-05-05,CGL,cal,-334417,-390100,66.97,NA,91.01,36.88,0.07744,-92000,0,0,0,0,NA
+barite,Brt,BaSO4,cr,HDNB78,NA,1978-05-05,CGL,cal,-325563,-352100,31.6,NA,52.1,33.8,0,-843000,0,0,0,0,NA
bornite,Bn,Cu5FeS4,cr,HDNB78,PK70,1978-05-05,CGL,cal,-86704,-79922,99.29,NA,98.6,49.76,0.03508,-135000,0,0,0,0,485
bornite,Bn,Cu5FeS4,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-86373.231,-78463.256,103.0733,NA,98.6,-34.31,0.247,0,0,0,0,0,540
-bornite,Bn,Cu5FeS4,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-86513.642,-80947.917,95.2106,NA,98.6,80.33,-0.00204,0,0,0,0,0,1200
+bornite,Bn,Cu5FeS4,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-86513.642,-80947.917,95.2106,NA,98.6,80.33,-0.00204,0,0,0,0,0,NA
bunsenite,Bsn,NiO,cr,HDNB78,NA,1978-05-05,CGL,cal,-50573,-57300,9.08,NA,10.97,-4.99,0.03758,389000,0,0,0,0,525
bunsenite,Bsn,NiO,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-50581.657,-57508.213,8.4107,NA,10.97,13.88,0,0,0,0,0,0,565
-bunsenite,Bsn,NiO,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-50447.661,-57020.353,9.5976,NA,10.97,11.18,0.00202,0,0,0,0,0,2000
-bromellite,Brm,BeO,cr,HDNB78,RH95.6,2020-07-06,CGL,cal,-138647,-145650,3.29,6.11,8.309,8.45,0.004,-317000,0,0,0,0,1200
-celestite,Cls,SrSO4,cr,RA87,HDNB78.2,2019-01-15,CGL,cal,-321736.8,-348671.3,28.66216,NA,46.25,21.8,0.0133,0,0,0,0,0,1500
-cerussite,Cer,PbCO3,cr,HDNB78,NA,1978-05-05,CGL,cal,-150370,-168000,31.3,NA,40.59,12.39,0.0286,0,0,0,0,0,800
+bunsenite,Bsn,NiO,cr3,HDNB78,RH95.7,1978-05-05,CGL,cal,-50447.661,-57020.353,9.5976,NA,10.97,11.18,0.00202,0,0,0,0,0,2257
+bromellite,Brm,BeO,cr,HDNB78,RH95.6,2020-07-06,CGL,cal,-138647,-145650,3.29,6.11,8.309,8.45,0.004,-317000,0,0,0,0,2681
+celestite,Cls,SrSO4,cr,RA87,HDNB78.2,2019-01-15,CGL,cal,-321736.8,-348671.3,28.66216,NA,46.25,21.8,0.0133,0,0,0,0,0,NA
+cerussite,Cer,PbCO3,cr,HDNB78,NA,1978-05-05,CGL,cal,-150370,-168000,31.3,NA,40.59,12.39,0.0286,0,0,0,0,0,NA
chalcocite,Cct,Cu2S,cr,HDNB78,NA,1978-05-05,CGL,cal,-20626,-19000,28.9,NA,27.48,12.63,0.01882,0,0,0,0,0,376
chalcocite,Cct,Cu2S,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-20479.051,-18494.843,30.1015,NA,27.48,26.78,-0.00735,0,0,0,0,0,717
-chalcocite,Cct,Cu2S,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-19940.435,-17064.666,33.0917,NA,27.48,20.32,0,0,0,0,0,0,1400
+chalcocite,Cct,Cu2S,cr3,HDNB78,RH95.7,1978-05-05,CGL,cal,-19940.435,-17064.666,33.0917,NA,27.48,20.32,0,0,0,0,0,0,1403
chalcopyrite,Ccp,CuFeS2,cr,HDNB78,PK70,1978-05-05,CGL,cal,-44900,-44453,31.15,NA,42.83,20.79,0.0128,-134000,0,0,0,0,830
chalcopyrite,Ccp,CuFeS2,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-34590.133,-15235.889,94.5651,NA,42.83,-141.4,0.21,0,0,0,0,0,930
-chalcopyrite,Ccp,CuFeS2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-46119.409,-49143.645,19.5073,NA,42.83,41.22,0,0,0,0,0,0,1200
+chalcopyrite,Ccp,CuFeS2,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-46119.409,-49143.645,19.5073,NA,42.83,41.22,0,0,0,0,0,0,NA
chlorargyrite,Crg,AgCl,cr,RHF78,Pan70,1978-05-05,CGL,cal,-26247,-30370,23,NA,25.727,14.33,0.001821,-243000,0,0,0,0,728
cinnabar,Cin,HgS,cr,HDNB78,NA,1978-05-05,CGL,cal,-10940,-12750,19.7,NA,28.416,10.46,0.00372,0,0,0,0,0,618
copper,Cu,Cu,cr,HDNB78,NA,1978-05-05,CGL,cal,0,0,7.923,NA,7.113,5.41,0.0015,0,0,0,0,0,1357
-covellite,Cv,CuS,cr,HDNB78,NA,1978-05-05,CGL,cal,-12612,-12500,15.9,NA,20.42,10.6,0.00264,0,0,0,0,0,1273
-cuprite,Cpr,Cu2O,cr,HDNB78,NA,1978-05-05,CGL,cal,-35384,-40830,22.08,NA,23.437,14.08,0.00588,-76000,0,0,0,0,1515
-ferrous-oxide,Frs-Ox,FeO,cr,HDNB78,NA,1978-05-05,CGL,cal,-60097,-65020,14.52,NA,12,12.122,0.002072,-75000,0,0,0,0,1600
-galena,Gn,PbS,cr,HDNB78,NA,1978-05-05,CGL,cal,-23115,-23500,21.8,NA,31.49,11.17,0.0022,0,0,0,0,0,1388
-gold,Au,Au,cr,HDNB78,NA,1978-05-05,CGL,cal,0,0,11.33,NA,10.215,5.66,0.00124,0,0,0,0,0,1336
-graphite,Gr,C,cr,HDNB78,NA,1978-05-05,CGL,cal,0,0,1.372,NA,5.298,4.03,0.00114,-204000,0,0,0,0,2500
-halite,Hl,NaCl,cr,HDNB78,NA,1978-05-05,CGL,cal,-91807,-98260,17.24,NA,27.015,10.98,0.0039,0,0,0,0,0,1073
-huntite,Hun,CaMg3(CO3)4,cr,HDNB78,NA,1978-05-05,CGL,cal,-1004710,-1082600,71.59,NA,122.9,84.17,0.04286,-2044000,0,0,0,0,1000
-hydromagnesite,Hydro-Mgs,Mg5(OH)2(CO3)4*4H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,-1401687,-1557090,129.38,NA,208.8,141.46,0.06528,-2167000,0,0,0,0,1000
+covellite,Cv,CuS,cr,HDNB78,RH95.7,1978-05-05,CGL,cal,-12612,-12500,15.9,NA,20.42,10.6,0.00264,0,0,0,0,0,780.5
+cuprite,Cpr,Cu2O,cr,HDNB78,RH95.7,1978-05-05,CGL,cal,-35384,-40830,22.08,NA,23.437,14.08,0.00588,-76000,0,0,0,0,1509
+ferrous-oxide,Frs-Ox,FeO,cr,HDNB78,NA,1978-05-05,CGL,cal,-60097,-65020,14.52,NA,12,12.122,0.002072,-75000,0,0,0,0,NA
+galena,Gn,PbS,cr,HDNB78,RH95.7,1978-05-05,CGL,cal,-23115,-23500,21.8,NA,31.49,11.17,0.0022,0,0,0,0,0,1400
+gold,Au,Au,cr,HDNB78,RH95.7,1978-05-05,CGL,cal,0,0,11.33,NA,10.215,5.66,0.00124,0,0,0,0,0,1336.15
+graphite,Gr,C,cr,HDNB78,NA,1978-05-05,CGL,cal,0,0,1.372,NA,5.298,4.03,0.00114,-204000,0,0,0,0,NA
+halite,Hl,NaCl,cr,HDNB78,RH95.7,1978-05-05,CGL,cal,-91807,-98260,17.24,NA,27.015,10.98,0.0039,0,0,0,0,0,1073.8
+huntite,Hun,CaMg3(CO3)4,cr,HDNB78,NA,1978-05-05,CGL,cal,-1004710,-1082600,71.59,NA,122.9,84.17,0.04286,-2044000,0,0,0,0,NA
+hydromagnesite,Hydro-Mgs,Mg5(OH)2(CO3)4*4H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,-1401687,-1557090,129.38,NA,208.8,141.46,0.06528,-2167000,0,0,0,0,NA
iron,Fe,Fe,cr,RHF78.2,Kel60.2,1978-05-05,CGL,cal,0,0,6.52,NA,7.092,3.04,0.00758,60000,0,0,0,0,1033
iron,Fe,Fe,cr2,RHF78.2,OBIGT.1,1978-05-05,CGL,cal,-618.237,-1768.418,2.662,NA,7.092,11.13,0,0,0,0,0,0,1183
iron,Fe,Fe,cr3,RHF78.2,OBIGT.1,1978-05-05,CGL,cal,1293.526,1865.343,8.438,NA,7.092,5.8,0.00198,0,0,0,0,0,1673
iron,Fe,Fe,cr4,RHF78.2,OBIGT.1,1978-05-05,CGL,cal,979.29,1252.891,7.438,NA,7.092,6.74,0.0016,0,0,0,0,0,1812
-malachite,Mal,Cu2(OH)2(CO3),cr,HDNB78,NA,1978-05-05,CGL,cal,-214204,-251900,44.5,NA,54.86,27.76,0.04378,-134000,0,0,0,0,780
-metacinnabar,Met-Cin,HgS,cr,HDNB78,NA,1978-05-05,CGL,cal,-10437,-11800,21.2,NA,30.169,10.52,0.00363,0,0,0,0,0,1000
+malachite,Mal,Cu2(OH)2(CO3),cr,HDNB78,NA,1978-05-05,CGL,cal,-214204,-251900,44.5,NA,54.86,27.76,0.04378,-134000,0,0,0,0,NA
+metacinnabar,Met-Cin,HgS,cr,HDNB78,NA,1978-05-05,CGL,cal,-10437,-11800,21.2,NA,30.169,10.52,0.00363,0,0,0,0,0,NA
nesquehonite,Nsh,MgCO3*3H2O,cr,HDNB78,NA,1978-05-05,CGL,cal,-412035,-472576,46.76,NA,74.79,-1574.804,3.899173,-41732500,0,0,0,0,306.5
-nesquehonite,Nsh,MgCO3*3H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-412132.322,-479914.417,22.4732,NA,74.79,25.246,0.091289,-422200,0,0,0,0,340
+nesquehonite,Nsh,MgCO3*3H2O,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-412132.322,-479914.417,22.4732,NA,74.79,25.246,0.091289,-422200,0,0,0,0,NA
nickel,Ni,Ni,cr,HDNB78,NA,1978-05-05,CGL,cal,0,0,7.14,NA,6.588,4.06,0.00704,0,0,0,0,0,633
nickel,Ni,Ni,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,79.615,167.295,7.434,NA,6.588,6,0.0018,0,0,0,0,0,1725
-"potassium oxide",K-Ox,K2O,cr,HDNB78,NA,1978-05-05,CGL,cal,-77056,-86800,22.5,NA,40.38,18.51,0.00865,-88000,0,0,0,0,1100
-pyrite,Py,FeS2,cr,HDNB78,NA,1978-05-05,CGL,cal,-38293,-41000,12.65,NA,23.94,17.88,0.00132,-305000,0,0,0,0,1000
+"potassium oxide",K-Ox,K2O,cr,HDNB78,NA,1978-05-05,CGL,cal,-77056,-86800,22.5,NA,40.38,18.51,0.00865,-88000,0,0,0,0,NA
+pyrite,Py,FeS2,cr,HDNB78,RH95.7,1978-05-05,CGL,cal,-38293,-41000,12.65,NA,23.94,17.88,0.00132,-305000,0,0,0,0,1015
pyrrhotite,Po,FeS,cr,HDNB78,NA,1978-05-05,CGL,cal,-24084,-24000,14.41,NA,18.2,5.19,0.0264,0,0,0,0,0,411
pyrrhotite,Po,FeS,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-23968.732,-23751.534,14.8567,NA,18.2,17.4,0,0,0,0,0,0,598
pyrrhotite,Po,FeS,cr3,HDNB78,OBIGT.1,1978-05-05,CGL,cal,-23535.388,-22392.08,17.9629,NA,18.2,12.2,0.00238,0,0,0,0,0,1468
-rhodochrosite,Rds,MnCO3,cr,HDNB78,NA,1978-05-05,CGL,cal,-195045,-212521,23.9,NA,31.075,21.99,0.0093,-469000,0,0,0,0,700
+rhodochrosite,Rds,MnCO3,cr,HDNB78,NA,1978-05-05,CGL,cal,-195045,-212521,23.9,NA,31.075,21.99,0.0093,-469000,0,0,0,0,NA
quicksilver,Hg,Hg,cr,HDNB78,NA,1978-05-05,CGL,cal,0,0,18.17,NA,14.822,6.44,0,19000,0,0,0,0,629
-quicksilver,Hg,Hg,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,7605.527,14659.869,41.8304,NA,14.822,4.97,0,0,0,0,0,0,3000
-siderite,Sd,FeCO3,cr,HDNB78,Hel85,1978-05-05,CGL,cal,-162414,-179173,25.1,NA,29.378,11.63,0.0268,0,0,0,0,0,885
-silver,Ag,Ag,cr,HDNB78,NA,1978-05-05,CGL,cal,0,0,10.17,NA,10.272,5.09,0.00204,36000,0,0,0,0,1234
-smithsonite,Smt,ZnCO3,cr,HDNB78,NA,1978-05-05,CGL,cal,-174850,-194260,19.7,NA,28.275,9.3,0.033,0,0,0,0,0,780
-"sodium oxide",Na-Ox,Na2O,cr,HDNB78,NA,1978-05-05,CGL,cal,-89883,-99140,17.935,NA,25,18.25,0.00489,-289000,0,0,0,0,1000
+quicksilver,Hg,Hg,cr2,HDNB78,OBIGT.1,1978-05-05,CGL,cal,7605.527,14659.869,41.8304,NA,14.822,4.97,0,0,0,0,0,0,NA
+siderite,Sd,FeCO3,cr,HDNB78,Hel85,1978-05-05,CGL,cal,-162414,-179173,25.1,NA,29.378,11.63,0.0268,0,0,0,0,0,NA
+silver,Ag,Ag,cr,HDNB78,RH95.7,1978-05-05,CGL,cal,0,0,10.17,NA,10.272,5.09,0.00204,36000,0,0,0,0,1234.9
+smithsonite,Smt,ZnCO3,cr,HDNB78,NA,1978-05-05,CGL,cal,-174850,-194260,19.7,NA,28.275,9.3,0.033,0,0,0,0,0,NA
+"sodium oxide",Na-Ox,Na2O,cr,HDNB78,RH95.7,1978-05-05,CGL,cal,-89883,-99140,17.935,NA,25,18.25,0.00489,-289000,0,0,0,0,1193
sphalerite,Sp,ZnS,cr,HDNB78,NA,1978-05-05,CGL,cal,-47947,-49000,14.019,NA,23.83,11.77,0.00126,-116000,0,0,0,0,1300
strontianite,Str,SrCO3,cr,HDNB78,NA,1978-05-05,CGL,cal,-275470,-294600,23.2,NA,39.01,23.52,0.00632,-508000,0,0,0,0,1197
sylvite,Sy,KCl,cr,HDNB78,NA,1978-05-05,CGL,cal,-97735,-104370,19.73,NA,37.524,9.89,0.0052,77000,0,0,0,0,1043
-tenorite,Tn,CuO,cr,HDNB78,NA,1978-05-05,CGL,cal,-30568,-37200,10.18,NA,12.22,11.53,0.00188,-176000,0,0,0,0,1600
-wurtzite,Wur,ZnS,cr,HDNB78,NA,1978-05-05,CGL,cal,-44810,-45850,14.064,NA,23.846,11.82,0.00116,-104000,0,0,0,0,1300
-berndtite,Brn,SnS2,cr,JH85,NA,1978-05-05,CGL,cal,-34750,-36700,20.9,NA,40.96,15.51,0.0042,0,0,0,0,0,1000
-cassiterite,Cst,SnO2,cr,JH85,NA,1978-05-05,CGL,cal,-124260,-138800,12.5,NA,21.55,17.246,0.0028026,-490010,0,0,0,0,1500
-romarchite,Sn-Ox,SnO,cr,JH85,NA,1978-05-05,CGL,cal,-61459,-68340,13.66,NA,20.895,9.55,0.0035,0,0,0,0,0,1237
+tenorite,Tn,CuO,cr,HDNB78,NA,1978-05-05,CGL,cal,-30568,-37200,10.18,NA,12.22,11.53,0.00188,-176000,0,0,0,0,NA
+wurtzite,Wur,ZnS,cr,HDNB78,NA,1978-05-05,CGL,cal,-44810,-45850,14.064,NA,23.846,11.82,0.00116,-104000,0,0,0,0,NA
+berndtite,Brn,SnS2,cr,JH85,NA,1978-05-05,CGL,cal,-34750,-36700,20.9,NA,40.96,15.51,0.0042,0,0,0,0,0,NA
+cassiterite,Cst,SnO2,cr,JH85,RH95.7,1978-05-05,CGL,cal,-124260,-138800,12.5,NA,21.55,17.246,0.0028026,-490010,0,0,0,0,1903
+romarchite,Sn-Ox,SnO,cr,JH85,NA,1978-05-05,CGL,cal,-61459,-68340,13.66,NA,20.895,9.55,0.0035,0,0,0,0,0,NA
tin,Sn,Sn,cr,JH85,NA,1985-08-00,CGL,cal,0,0,12.24,NA,16.289,4.42,0.0063,0,0,0,0,0,505.06
-tin,Sn,Sn,cr2,JH85,OBIGT.1,1985-08-00,CGL,cal,679.802,1607.605,15.3519,NA,16.289,7.3,0,0,0,0,0,0,3000
-uraninite,UO2,UO2,cr,SSB97.1,NA,1994-09-08,CGL,cal,-246610,-259320,18.4,NA,24.638,15.0033,0.007586,-183867,0,0,0,0,600
-ruthenium,Ru,Ru,cr,SS98a.1,NA,1992-04-14,CGL,cal,0,0,6.82,5.76,8.175,5,0.001696,22300,0,0,0,0,1400
-rhodium,Rh,Rh,cr,SS98a.1,NA,1992-04-14,CGL,cal,0,0,7.53,5.92,8.281,5.73,0.001895,-33300,0,0,0,0,1800
-palladium,Pd,Pd,cr,SS98a.1,NA,1992-04-14,CGL,cal,0,0,9.04,6.06,8.861,5.73,0.001418,-8500,0,0,0,0,1800
-platinum,Pt,Pt,cr,SS98a.1,NA,1992-04-14,CGL,cal,0,0,9.95,6.18,9.09,5.831,0.001255,-1900,0,0,0,0,2000
-RuO2,RuO2,RuO2,cr,SS98a.1,NA,1992-04-09,CGL,cal,-60490,-73420,12.5,13.46,19.05,16.7,0.0025,-355000,0,0,0,0,1300
-Rh2O3,Rh2O3,Rh2O3,cr,SS98a.1,NA,1992-04-09,CGL,cal,-48300,-68300,21.53,24.86,31.37,20.74,0.0138,110,0,0,0,0,1300
-PdO,PdO,PdO,cr,SS98a.1,NA,1992-04-09,CGL,cal,-14330,-20400,13.2,10.99,14.68,10.753,0.001844,-27300,0,0,0,0,1143
-Pd(OH)2,Pd(OH)2,Pd(OH)2,cr,SS98a.1,NA,1992-04-09,CGL,cal,-72000,-92100,21.7,20.67,28.38,17.75,0.01008,-27300,0,0,0,0,1000
-laurite,laur,RuS2,cr,SS98a.1,NA,1992-06-10,CGL,cal,-45030,-47680,13.2,15.85,25.56,17.012,0.001618,-146200,0,0,0,0,1500
-Pd4S,Pd4S,Pd4S,cr,SS98a.1,NA,2015-08-15,CGL,cal,-16300,-16500,43.18,27.48,44.03,24,0.01166,0,0,0,0,0,1000
-vysotskite,PdS,PdS,cr,SS98a.1,NA,1995-03-30,CGL,cal,-16000,-16900,13.5,10.37,20.65,9.97,0.00411,-73000,0,0,0,0,1245
-PdS2,PdS2,PdS2,cr,SS98a.1,NA,1995-03-30,CGL,cal,-17700,-18700,21,15.75,34.3,16.39,0.00377,-157000,0,0,0,0,1245
-cooperite,PtS,PtS,cr,SS98a.1,NA,1992-04-09,CGL,cal,-18600,-19900,13.16,10.37,22.15,9.97,0.00411,-73000,0,0,0,0,1500
-PtS2,PtS2,PtS2,cr,SS98a.1,NA,1992-04-09,CGL,cal,-24200,-26400,17.85,15.75,32.746,16.39,0.00377,-157000,0,0,0,0,1500
-Rh2O,Rh2O,Rh2O,cr,SS98a.1,NA,1992-04-09,CGL,cal,-19100,-22700,27.4,NA,0,15.59,0.00647,0,0,0,0,0,1273
-zincite,Znc,ZnO,cr,SSWS97.1,HDNB78.1,1978-05-05,CGL,cal,-76596,-83762,10.43,NA,14.338,11.71,0.00122,-218000,0,0,0,0,2000
-litharge,NA,PbO,cr,SSWS97.1,SLOP98.1,1995-04-11,CGL,cal,-45220,-52540,15.85,NA,23.91,12.193,0.002455,-176560,0,0,0,0,2000
+tin,Sn,Sn,cr2,JH85,OBIGT.1,1985-08-00,CGL,cal,679.802,1607.605,15.3519,NA,16.289,7.3,0,0,0,0,0,0,NA
+uraninite,UO2,UO2,cr,SSB97.1,RH95.7,1994-09-08,CGL,cal,-246610,-259320,18.4,NA,24.638,15.0033,0.007586,-183867,0,0,0,0,3151
+ruthenium,Ru,Ru,cr,SS98a.1,NA,1992-04-14,CGL,cal,0,0,6.82,5.76,8.175,5,0.001696,22300,0,0,0,0,NA
+rhodium,Rh,Rh,cr,SS98a.1,NA,1992-04-14,CGL,cal,0,0,7.53,5.92,8.281,5.73,0.001895,-33300,0,0,0,0,NA
+palladium,Pd,Pd,cr,SS98a.1,NA,1992-04-14,CGL,cal,0,0,9.04,6.06,8.861,5.73,0.001418,-8500,0,0,0,0,NA
+platinum,Pt,Pt,cr,SS98a.1,NA,1992-04-14,CGL,cal,0,0,9.95,6.18,9.09,5.831,0.001255,-1900,0,0,0,0,NA
+RuO2,RuO2,RuO2,cr,SS98a.1,NA,1992-04-09,CGL,cal,-60490,-73420,12.5,13.46,19.05,16.7,0.0025,-355000,0,0,0,0,NA
+Rh2O3,Rh2O3,Rh2O3,cr,SS98a.1,NA,1992-04-09,CGL,cal,-48300,-68300,21.53,24.86,31.37,20.74,0.0138,110,0,0,0,0,NA
+PdO,PdO,PdO,cr,SS98a.1,NA,1992-04-09,CGL,cal,-14330,-20400,13.2,10.99,14.68,10.753,0.001844,-27300,0,0,0,0,NA
+Pd(OH)2,Pd(OH)2,Pd(OH)2,cr,SS98a.1,NA,1992-04-09,CGL,cal,-72000,-92100,21.7,20.67,28.38,17.75,0.01008,-27300,0,0,0,0,NA
+laurite,laur,RuS2,cr,SS98a.1,NA,1992-06-10,CGL,cal,-45030,-47680,13.2,15.85,25.56,17.012,0.001618,-146200,0,0,0,0,NA
+Pd4S,Pd4S,Pd4S,cr,SS98a.1,NA,2015-08-15,CGL,cal,-16300,-16500,43.18,27.48,44.03,24,0.01166,0,0,0,0,0,NA
+vysotskite,PdS,PdS,cr,SS98a.1,NA,1995-03-30,CGL,cal,-16000,-16900,13.5,10.37,20.65,9.97,0.00411,-73000,0,0,0,0,NA
+PdS2,PdS2,PdS2,cr,SS98a.1,NA,1995-03-30,CGL,cal,-17700,-18700,21,15.75,34.3,16.39,0.00377,-157000,0,0,0,0,NA
+cooperite,PtS,PtS,cr,SS98a.1,NA,1992-04-09,CGL,cal,-18600,-19900,13.16,10.37,22.15,9.97,0.00411,-73000,0,0,0,0,NA
+PtS2,PtS2,PtS2,cr,SS98a.1,NA,1992-04-09,CGL,cal,-24200,-26400,17.85,15.75,32.746,16.39,0.00377,-157000,0,0,0,0,NA
+Rh2O,Rh2O,Rh2O,cr,SS98a.1,NA,1992-04-09,CGL,cal,-19100,-22700,27.4,NA,0,15.59,0.00647,0,0,0,0,0,NA
+zincite,Znc,ZnO,cr,SSWS97.1,RH95.7,1978-05-05,CGL,cal,-76596,-83762,10.43,NA,14.338,11.71,0.00122,-218000,0,0,0,0,2242
+litharge,NA,PbO,cr,SSWS97.1,SLOP98.1,1995-04-11,CGL,cal,-45220,-52540,15.85,NA,23.91,12.193,0.002455,-176560,0,0,0,0,NA
sulfur,NA,S,cr,MS97.1,SLOP98.11,1998-06-12,CGL,cal,0,0,7.6,NA,15.61,3.58,0.00624,0,0,0,0,0,368.6
sulfur,NA,S,cr2,MS97.1,SLOP98.11,1998-06-12,CGL,cal,12.847,46.975,7.714,NA,15.61,6.2,0,0,0,0,0,0,392
sulfur,NA,S,cr3,MS97.1,SLOP98.11,1998-06-12,CGL,cal,62.041,144.535,7.877,NA,15.61,8.73,0,0,0,0,0,0,717.8
-molybdenite,NA,MoS2,cr,AS01.1,NA,1998-08-05,CGL,cal,-62847.9,-64961.8,14.96,NA,32.02,17.1357,0.00178,-220140,0,0,0,0,1200
+molybdenite,NA,MoS2,cr,AS01.1,NA,1998-08-05,CGL,cal,-62847.9,-64961.8,14.96,NA,32.02,17.1357,0.00178,-220140,0,0,0,0,NA
selenium,NA,Se,cr,AS01.1,NA,1998-07-30,CGL,cal,0,0,10.103,NA,16.42,6.0814,0.0012414,-41426,0,0,0,0,494
selenium,NA,Se,cr2,AS01.1,NA,1998-07-30,CGL,cal,443.913,753.636,11.142,NA,16.42,4.5124,0.003198,615760,0,0,0,0,957
-ice,"ice Ih",H2O,cr,MVT01,NA,2006-08-31,CGL,cal,-56546.6,-69968,10.701,10.04,19.228,0.319,0.032505,0,0,0,0,0,1000
-ice,"ice II",H2O,cr2,MVT01,NA,2006-08-31,CGL,cal,-56299.5,-69967,9.875,10.051,15.301,0.179,0.033222,0,0,0,0,0,1000
-ice,"ice III",H2O,cr3,MVT01,NA,2006-08-31,CGL,cal,-56432.8,-69554.7,11.704,7.434,16.484,32.398,-0.083652,0,0,0,0,0,1000
-ice,"ice V",H2O,cr5,MVT01,NA,2006-08-31,CGL,cal,-56347.8,-69495,11.619,7.429,15.488,32.398,-0.083652,0,0,0,0,0,1000
-ice,"ice VI",H2O,cr6,MVT01,NA,2006-08-31,CGL,cal,-56240,-69423.3,11.499,7.408,14.77,32.479,-0.08413,0,0,0,0,0,1000
-ice,"ice VII",H2O,cr7,MVT01,NA,2006-08-31,CGL,cal,-55703.2,-68981.8,11.178,9.685,13.915,52.598,-0.143881,0,0,0,0,0,1000
-ice,"ice VIII",H2O,cr8,MVT01,NA,2006-08-31,CGL,cal,-55684,-69241.4,10.244,9.685,13.914,52.598,-0.143881,0,0,0,0,0,1000
-ice,"ice IX",H2O,cr9,MVT01,NA,2006-08-31,CGL,cal,-56312.9,-69719.9,10.748,7.434,16.474,32.398,-0.083652,0,0,0,0,0,1000
-"hydronium jarosite",NA,(H3O)Fe3(SO4)2(OH)6,cr,MSB+04,NA,2009-04-13,CGL,cal,-771128.1,-901099.4,107.122,NA,NA,68.642,0.15012,-785400,0,0,0,0,400
+ice,"ice Ih",H2O,cr,MVT01,NA,2006-08-31,CGL,cal,-56546.6,-69968,10.701,10.04,19.228,0.319,0.032505,0,0,0,0,0,NA
+ice,"ice II",H2O,cr2,MVT01,NA,2006-08-31,CGL,cal,-56299.5,-69967,9.875,10.051,15.301,0.179,0.033222,0,0,0,0,0,NA
+ice,"ice III",H2O,cr3,MVT01,NA,2006-08-31,CGL,cal,-56432.8,-69554.7,11.704,7.434,16.484,32.398,-0.083652,0,0,0,0,0,NA
+ice,"ice V",H2O,cr5,MVT01,NA,2006-08-31,CGL,cal,-56347.8,-69495,11.619,7.429,15.488,32.398,-0.083652,0,0,0,0,0,NA
+ice,"ice VI",H2O,cr6,MVT01,NA,2006-08-31,CGL,cal,-56240,-69423.3,11.499,7.408,14.77,32.479,-0.08413,0,0,0,0,0,NA
+ice,"ice VII",H2O,cr7,MVT01,NA,2006-08-31,CGL,cal,-55703.2,-68981.8,11.178,9.685,13.915,52.598,-0.143881,0,0,0,0,0,NA
+ice,"ice VIII",H2O,cr8,MVT01,NA,2006-08-31,CGL,cal,-55684,-69241.4,10.244,9.685,13.914,52.598,-0.143881,0,0,0,0,0,NA
+ice,"ice IX",H2O,cr9,MVT01,NA,2006-08-31,CGL,cal,-56312.9,-69719.9,10.748,7.434,16.474,32.398,-0.083652,0,0,0,0,0,NA
+"hydronium jarosite",NA,(H3O)Fe3(SO4)2(OH)6,cr,MSB+04,NA,2009-04-13,CGL,cal,-771128.1,-901099.4,107.122,NA,NA,68.642,0.15012,-785400,0,0,0,0,NA
coquimbite,NA,Fe1.47Al0.53(SO4)3(H2O)9.65,cr,MNM+06,NA,2009-04-13,CGL,cal,-1158126.2,-1371510.5,152.557,NA,265.32,0,0,0,0,0,0,0,NA
ferricopiapite,NA,Fe4.78(SO4)6(OH)2.34(H2O)20.71,cr,MNM+06,NA,2009-04-13,CGL,cal,-2411520.1,-2878848,346.367,NA,574.84,0,0,0,0,0,0,0,NA
rhomboclase,NA,(H3O)1.34Fe(SO4)2.17(H2O)3.06,cr,MNM+06,NA,2009-04-13,CGL,cal,-642447.4,-765081.3,90.846,NA,145.24,0,0,0,0,0,0,0,NA
-goethite,NA,FeOOH,cr,MGN03,MLS+03,2009-04-13,CGL,cal,-117065,-134010.5,14.269,17.77,20.881,0.298,0.055736,75000,0,0,0,0,375
-lepidocrocite,NA,FeOOH,cr,MGN03,MLS+03,2009-04-13,CGL,cal,-114746.7,-131309.8,15.559,16.52,22.395,14.283,0.014465,-184700,0,0,0,0,390
-maghemite,NA,Fe2O3,cr,MGN03,MLS+03,2009-04-13,CGL,cal,-173972.3,-193140.5,22.228,25.02,32.779,25.526,0.015557,-450800,0,0,0,0,760
-kieserite,NA,MgSO4.H2O,cr,GM09,NA,2015-11-24,CGL,cal,-343670,-385160,30.11,NA,NA,24.65,0.00041,-429000,0,0,0,0,400
-starkeyite,NA,MgSO4*4H2O,cr,GM09,NA,2015-11-24,CGL,cal,-514770,-596580,62.12,NA,NA,0,0,0,0,0,0,0,400
-hexahydrite,NA,MgSO4*6H2O,cr,GM09,NA,2015-11-24,CGL,cal,-629130,-737880,83.29,NA,NA,48.56,0.0016,-1068000,0,0,0,0,400
-epsomite,NA,MgSO4*7H2O,cr,GM09,NA,2015-11-24,CGL,cal,-686190,-809920,88.74,NA,NA,52.29,0.00178,-1167000,0,0,0,0,400
+goethite,NA,FeOOH,cr,MGN03,MLS+03,2009-04-13,CGL,cal,-117065,-134010.5,14.269,17.77,20.881,0.298,0.055736,75000,0,0,0,0,NA
+lepidocrocite,NA,FeOOH,cr,MGN03,MLS+03,2009-04-13,CGL,cal,-114746.7,-131309.8,15.559,16.52,22.395,14.283,0.014465,-184700,0,0,0,0,NA
+maghemite,NA,Fe2O3,cr,MGN03,MLS+03,2009-04-13,CGL,cal,-173972.3,-193140.5,22.228,25.02,32.779,25.526,0.015557,-450800,0,0,0,0,NA
+kieserite,NA,MgSO4.H2O,cr,GM09,NA,2015-11-24,CGL,cal,-343670,-385160,30.11,NA,NA,24.65,0.00041,-429000,0,0,0,0,NA
+starkeyite,NA,MgSO4*4H2O,cr,GM09,NA,2015-11-24,CGL,cal,-514770,-596580,62.12,NA,NA,0,0,0,0,0,0,0,NA
+hexahydrite,NA,MgSO4*6H2O,cr,GM09,NA,2015-11-24,CGL,cal,-629130,-737880,83.29,NA,NA,48.56,0.0016,-1068000,0,0,0,0,NA
+epsomite,NA,MgSO4*7H2O,cr,GM09,NA,2015-11-24,CGL,cal,-686190,-809920,88.74,NA,NA,52.29,0.00178,-1167000,0,0,0,0,NA
natroalunite,NA,NaAl3(SO4)2(OH)6,cr,SAJ00,NA,2009-04-13,CGL,cal,-1104780.1,-1226570.3,76.74,NA,NA,153.322,-0.001881,-5595600,0,0,0,0,NA
jarosite,NA,KFe3(SO4)2(OH)6,cr,SAJ00,NA,2009-04-13,CGL,cal,-791061.2,-887930.2,92.949,NA,NA,147.44,0.023599,-4770600,0,0,0,0,NA
natrojarosite,NA,NaFe3(SO4)2(OH)6,cr,SAJ00,NA,2009-04-13,CGL,cal,-778370,-877892,91.396,NA,NA,147.321,0.0218,-4870000,0,0,0,0,NA
melanterite,NA,FeSO4*7H2O,cr,PK95,NA,2009-04-13,CGL,cal,-599366.6,-720028.7,97.801,NA,NA,0,0,0,0,0,0,0,NA
-gypsum,NA,CaSO4*2H2O,cr,RH95,Kel60.3,2015-11-22,CGL,cal,-429493,-483509,46.32,NA,74.69,21.84,0.076,0,0,0,0,0,400
+gypsum,NA,CaSO4*2H2O,cr,RH95,Kel60.3,2015-11-22,CGL,cal,-429493,-483509,46.32,NA,74.69,21.84,0.076,0,0,0,0,0,NA
MgSO4,NA,MgSO4,cr,WEP+82.1,NA,2015-11-24,CGL,cal,-279780,-307100,21.89,NA,NA,23.06,0,0,0,0,0,0,NA
"arsenic,alpha",NA,As,cr,NA03,ZZL+16.1,2017-10-16,CGL,J,0,0,35.63,24.43,12.96,NA,NA,NA,NA,NA,NA,NA,NA
arsenolite,NA,As2O3,cr,NA03,NA,2017-10-16,CGL,J,-576340,-657270,107.38,96.88,NA,NA,NA,NA,NA,NA,NA,NA,NA
@@ -132,24 +132,24 @@ scorodite,NA,FeAsO4*2H2O,cr,LMR06,ZZL+16,2017-10-16,CGL,J,-1287080,NA,NA,NA,NA,N
boehmite,NA,AlO(OH),cr,HRA91,ZZL+16.2,2017-10-17,CGL,J,-918400,-996400,37.19,54.24,19.535,169.4,-0.0172,291310,-1955.6,0,0,0,NA
gibbsite,NA,Al(OH)3,cr,RHF78.3,ZZL+16.2,2017-10-17,CGL,J,-1154889,-1293128,68.44,91.7,NA,92.8,0.189438,133870,-1034.3,0,0,0,NA
dawsonite,NA,NaAlCO3(OH)2,cr,ZZL+16.3,RH95.2,2019-04-16,CGL,J,-1782300,-1939100,137.7,142.6,59.3,34.41,0.3347,746400,0,0,0,0,NA
-scheelite,NA,CaWO4,cr,WS00,LXW21.1,2021-09-27,CGL,J,-1538361,-1645150,126.4,113.32,47.05,232.15,-0.0429,160000,-1912.3,2.75E-05,0,0,1000
-ferberite,NA,FeWO4,cr,WS00,Pol90,2019-09-10,CGL,J,-1085200,NA,131.8,115.73,40.38,68.87,0.1883,0,0,-9.08E-05,0,0,1000
-arsenopyrite,NA,FeAsS,cr,PPB+08,NA,2020-07-27,CGL,J,-136450,-144360,68.5,68.44,26.27,75.51,0.00478,-754300,0,0,0,0,900
-loellingite,NA,FeAs2,cr,PPB+08,NA,2020-07-27,CGL,J,-80230,-85770,80.1,70.83,27.44,76.69,0.0031,-603000,0,0,0,0,1300
-westerveldite,NA,FeAs,cr,PPB+08,NA,2020-07-27,CGL,J,-43360,-43510,62.5,50.36,16.64,27.95,0.0465,760000,0,0,0,0,1250
-manganosite,Mng,MnO,cr,RH95,NA,2020-08-15,CGL,J,-362900,-385200,59.71,44.1,13.22,60.28,0.00351,0,-297.5,0,0,0,2000
-pyrolusite,NA,MnO2,cr,RH95,NA,2020-08-15,CGL,J,-465000,-520000,52.8,54.76,16.61,290.4,-0.1442,2012000,-3787,4.541E-05,0,0,850
-bixbyite,NA,Mn2O3,cr,RH95,NA,2020-08-15,CGL,J,-882100,-959000,113.7,101.81,31.37,162.4,0.01211,1046000,-1317,3.462E-06,0,0,1400
-hausmannite,NA,Mn3O4,cr,RH95,NA,2020-08-15,CGL,J,-1282500,-1384500,164.1,142.02,46.95,-7.432,0.09487,-6712000,3396,0,0,0,1400
-manganese,NA,Mn,cr,RH95,NA,2020-08-15,CGL,J,0,0,32.01,26.19,7.354,0,0.041345,-272170,313.29,-1.3745E-05,0,0,980
-Mn(OH)2,NA,Mn(OH)2,cr,WEP+82.1,SUF+98,2020-08-15,CGL,J,-615000,-695400,99.2,114.7,NA,139.61,-0.08525,0,0,0,0,0,700
-huebnerite,NA,MnWO4,cr,RH95,LX20,2020-09-10,CGL,J,-1235400,-1337600,132.5,NA,41.89,155.68,0.0915,53000,-1170,-5.31E-05,0,0,1000
-linnaeite,NA,Co3S4,cr,RH95,PMW87.1,2023-02-10,CGL,J,-334900,-347500,176,162.6321,62.55,153,0.0825,-1340000,0,0,0,0,937
-cattierite,NA,CoS2,cr,RH95,NA,2020-10-06,CGL,J,-145100,-150900,74.8,68.26,25.52,65.82,0.03032,-587000,0,0,0,0,1223
-Co-pentlandite,NA,Co9S8,cr,PMW87,WV22,2023-02-10,CGL,J,-816330,NA,410.752,NA,149.33,39.5,0.0271,-379000,0,0,0,0,1107
-cobalt,NA,Co,cr,RH95,NA,2020-10-06,CGL,J,0,0,30.04,24.81,6.67,0,0.041844,-156460,268.75,-1.6498E-05,0,0,700
+scheelite,NA,CaWO4,cr,WS00,LXW21.1,2021-09-27,CGL,J,-1538361,-1645150,126.4,113.32,47.05,232.15,-0.0429,160000,-1912.3,2.75E-05,0,0,NA
+ferberite,NA,FeWO4,cr,WS00,Pol90,2019-09-10,CGL,J,-1085200,NA,131.8,115.73,40.38,68.87,0.1883,0,0,-9.08E-05,0,0,NA
+arsenopyrite,NA,FeAsS,cr,PPB+08,NA,2020-07-27,CGL,J,-136450,-144360,68.5,68.44,26.27,75.51,0.00478,-754300,0,0,0,0,NA
+loellingite,NA,FeAs2,cr,PPB+08,NA,2020-07-27,CGL,J,-80230,-85770,80.1,70.83,27.44,76.69,0.0031,-603000,0,0,0,0,NA
+westerveldite,NA,FeAs,cr,PPB+08,NA,2020-07-27,CGL,J,-43360,-43510,62.5,50.36,16.64,27.95,0.0465,760000,0,0,0,0,NA
+manganosite,Mng,MnO,cr,RH95,NA,2020-08-15,CGL,J,-362900,-385200,59.71,44.1,13.22,60.28,0.00351,0,-297.5,0,0,0,2054
+pyrolusite,NA,MnO2,cr,RH95,NA,2020-08-15,CGL,J,-465000,-520000,52.8,54.76,16.61,290.4,-0.1442,2012000,-3787,4.541E-05,0,0,NA
+bixbyite,NA,Mn2O3,cr,RH95,NA,2020-08-15,CGL,J,-882100,-959000,113.7,101.81,31.37,162.4,0.01211,1046000,-1317,3.462E-06,0,0,NA
+hausmannite,NA,Mn3O4,cr,RH95,NA,2020-08-15,CGL,J,-1282500,-1384500,164.1,142.02,46.95,-7.432,0.09487,-6712000,3396,0,0,0,NA
+manganese,NA,Mn,cr,RH95,NA,2020-08-15,CGL,J,0,0,32.01,26.19,7.354,0,0.041345,-272170,313.29,-1.3745E-05,0,0,NA
+Mn(OH)2,NA,Mn(OH)2,cr,WEP+82.1,SUF+98,2020-08-15,CGL,J,-615000,-695400,99.2,114.7,NA,139.61,-0.08525,0,0,0,0,0,NA
+huebnerite,NA,MnWO4,cr,RH95,LX20,2020-09-10,CGL,J,-1235400,-1337600,132.5,NA,41.89,155.68,0.0915,53000,-1170,-5.31E-05,0,0,NA
+linnaeite,"tricobalt tetrasulfide",Co3S4,cr,RH95,PMW87.1,2023-02-10,CGL,J,-334900,-347500,176,162.6321,62.55,153,0.0825,-1340000,0,0,0,0,NA
+cattierite,"cobalt disulfide",CoS2,cr,RH95,NA,2020-10-06,CGL,J,-145100,-150900,74.8,68.26,25.52,65.82,0.03032,-587000,0,0,0,0,NA
+Co-pentlandite,NA,Co9S8,cr,PMW87,WV22,2023-02-10,CGL,J,-816330,NA,410.752,NA,149.33,39.5,0.0271,-379000,0,0,0,0,NA
+cobalt,NA,Co,cr,RH95,NA,2020-10-06,CGL,J,0,0,30.04,24.81,6.67,0,0.041844,-156460,268.75,-1.6498E-05,0,0,NA
wustite,NA,Fe0.947O,cr,RH95,NA,2020-11-10,CGL,J,-244900,-266300,56.6,48.13,12.04,-19.3,0.03017,-2533000,1501,0,0,0,1652
-willemite,NA,Zn2SiO4,cr,RH95,BKK77,2021-03-22,CGL,J,-1523100,-1636700,131.4,123.3,52.42,144.892,0.036945,-3029200,0,0,0,0,1785
-guite,NA,Co3O4,cr,RH95,NA,2022-06-21,CGL,J,-802200,-918800,109.3,123.39,39.77,131.6,0.06602,-2480000,0,0,0,0,1000
-"cobalt monoxide",NA,CoO,cr,RH95,NA,2022-06-21,CGL,J,-214100,-237900,52.8,43.34,11.64,-30.47,0.02946,-4166000,1932,0,0,0,1000
+willemite,NA,Zn2SiO4,cr,RH95,BKK77,2021-03-22,CGL,J,-1523100,-1636700,131.4,123.3,52.42,144.892,0.036945,-3029200,0,0,0,0,NA
+guite,"tricobalt tetroxide",Co3O4,cr,RH95,NA,2022-06-21,CGL,J,-802200,-918800,109.3,123.39,39.77,131.6,0.06602,-2480000,0,0,0,0,NA
+"cobalt monoxide",NA,CoO,cr,RH95,NA,2022-06-21,CGL,J,-214100,-237900,52.8,43.34,11.64,-30.47,0.02946,-4166000,1932,0,0,0,2078
zinc,NA,Zn,cr,RH95,NA,2022-07-15,CGL,J,0,0,41.63,25.39,9.162,29.09,-0.003507,0,-63.66,1.161E-05,0,0,692.7
diff --git a/inst/extdata/OBIGT/refs.csv b/inst/extdata/OBIGT/refs.csv
index a5ff70e..8b60caf 100644
--- a/inst/extdata/OBIGT/refs.csv
+++ b/inst/extdata/OBIGT/refs.csv
@@ -5,8 +5,7 @@ Kel60.3,"K. K. Kelley",1960,"U. S. Bureau of Mines Bull. 584","gypsum Cp",https:
Pan70,"L. B. Pankratz",1970,"U. S. Bureau of Mines Report of Investigations 7430",chlorargyrite,https://www.worldcat.org/oclc/14154245
PK70,"L. B. Pankratz and E. G. King",1970,"U. S. Bureau of Mines Report of Investigations 7435","bornite and chalcopyrite",https://www.worldcat.org/oclc/14154292
BKK77,"I. Barin, O. Knacke and O. Kubaschewski",1977,"Thermochemical Properties of Inorganic Substances: Supplement","willemite Cp",https://www.worldcat.org/oclc/695258
-HDNB78,"H. C. Helgeson, J. M. Delany et al.",1978,"Am. J. Sci. 278A, 1-229","data for minerals and phase transitions",https://www.worldcat.org/oclc/13594862
-HDNB78.1,"H. C. Helgeson, J. M. Delany et al.",1978,"Am. J. Sci. 278A, 1-229","litharge S, V, and Cp parameters",https://www.worldcat.org/oclc/13594862
+HDNB78,"H. C. Helgeson, J. M. Delany et al.",1978,"Am. J. Sci. 278A, 1-229","data for minerals and polymorphic phase transitions",https://www.worldcat.org/oclc/13594862
HDNB78.2,"H. C. Helgeson, J. M. Delany et al.",1978,"Am. J. Sci. 278A, 1-229","celestite V and Cp parameters",https://www.worldcat.org/oclc/13594862
RHF78,"R. A. Robie, B. S. Hemingway and J. R. Fisher",1978,"U. S. Geological Survey Bull. 1452",chlorargyrite,https://doi.org/10.3133/b1452
RHF78.2,"R. A. Robie, B. S. Hemingway and J. R. Fisher",1978,"U. S. Geological Survey Bull. 1452",iron,https://doi.org/10.3133/b1452
@@ -65,7 +64,8 @@ RH95.2,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 213
RH95.3,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","almandine, dickite, glaucophane, grunerite, halloysite, pyrope: GHS and Cp at 25 °C",https://doi.org/10.3133/b2131
RH95.4,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","fluorphlogopite (Al/Si disordered) (G and H not in SUPCRT92)",https://doi.org/10.3133/b2131
RH95.5,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","larnite (G and H not in SUPCRT92); Cp from @Kel60",https://doi.org/10.3133/b2131
-RH95.6,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","bromellite (G and H not in SUPCRT92)",https://doi.org/10.3133/b2131
+RH95.6,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","bromellite (melting temperature and G and H not in SUPCRT92)",https://doi.org/10.3133/b2131
+RH95.7,"R. A. Robie and B. S. Hemingway",1995,"U. S. Geological Survey Bull. 2131","anhydrite, bunsenite, chalcocite, covellite, cuprite, galena, gold, halite, pyrite, silver, sodium oxide, cassiterite, uraninite, zincite (melting or decomposition temperature)",https://doi.org/10.3133/b2131
SK95,"E. L. Shock and C. M. Koretsky",1995,"Geochim. Cosmochim. Acta 59, 1497-1532","metal-organic acid complexes",https://doi.org/10.1016/0016-7037(95)00058-8
Sho95,"E. L. Shock",1995,"Am. J. Sci. 295, 496-580","carboxylic acids",https://doi.org/10.2475/ajs.295.5.496
DPS+96,"I. Diakonov, G. Pokrovski et al.",1996,"Geochim. Cosmochim. Acta 60, 197-211",NaAl(OH)4,https://doi.org/10.1016/0016-7037(95)00403-3
@@ -220,7 +220,7 @@ ZZL+16,"K. Zimmer et al.",2016,"Comp. Geosci. 90, 97-111","data listed in sprons
ZZL+16.1,"K. Zimmer et al.",2016,"Comp. Geosci. 90, 97-111","As(α): V listed in spronsbl.dat",https://doi.org/10.1016/j.cageo.2016.02.013
ZZL+16.2,"K. Zimmer et al.",2016,"Comp. Geosci. 90, 97-111","Cp parameters listed in spronsbl.dat",https://doi.org/10.1016/j.cageo.2016.02.013
ZZL+16.3,"K. Zimmer et al.",2016,"Comp. Geosci. 90, 97-111","dawsonite GHS",https://doi.org/10.1016/j.cageo.2016.02.013
-OBIGT.1,"J. M. Dick",2017,"OBIGT database in CHNOSZ","GHS (Tr) of the phase that is stable at 298.15 K was combined with Htr and the Cp coefficients to calculate the metastable GHS (Tr) of the phases that are stable at higher temperatures.",https://chnosz.net
+OBIGT.1,"J. M. Dick",2017,"OBIGT database in CHNOSZ","GHS (Tr) of the polymorph that is stable at 298.15 K was combined with Htr and the Cp coefficients to calculate the metastable GHS (Tr) of the polymorphs that are stable at higher temperatures.",https://chnosz.net
OBIGT.3,"J. M. Dick",2017,"OBIGT database in CHNOSZ","AuCl4- renamed to AuCl4-3",https://chnosz.net
OBIGT.4,"J. M. Dick",2017,"OBIGT database in CHNOSZ","charge of NpO2(Oxal), La(Succ)+, NH4(Succ)-, and NpO2(Succ) as listed by @PSK99",https://chnosz.net
OBIGT.5,"J. M. Dick",2017,"OBIGT database in CHNOSZ","Incorrect values of HKF a1--a4 parameters for [-CH2NH2] were printed in Table 6 of @DLH06; corrected values are used here.",https://chnosz.net
diff --git a/inst/tinytest/test-subcrt.R b/inst/tinytest/test-subcrt.R
index dfd0237..a4c353b 100644
--- a/inst/tinytest/test-subcrt.R
+++ b/inst/tinytest/test-subcrt.R
@@ -58,8 +58,9 @@ expect_message(subcrt(iacanthite), "subcrt: temperature\\(s\\) of 623.15 K and a
expect_equal(subcrt("acanthite")$out$acanthite$polymorph, c(1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3), info = info)
# The reaction coefficients in the output should be unchanged 20171214
expect_equal(subcrt(c("bunsenite", "nickel", "oxygen"), c(-1, 1, 0.5))$reaction$coeff, c(-1, 1, 0.5), info = info)
-# Properties are NA only above (not at) the transition temperature 20191111
-expect_equal(is.na(subcrt("rhodochrosite", T = c(699:701), P = 1, convert = FALSE)$out[[1]]$G), c(FALSE, FALSE, TRUE), info = info)
+## TODO: replace/revise this test after removal of temperature limit of Cp equations 20231114
+## Properties are NA only above (not at) the temperature limit 20191111
+#expect_equal(is.na(subcrt("rhodochrosite", T = c(699:701), P = 1, convert = FALSE)$out[[1]]$G), c(FALSE, FALSE, TRUE), info = info)
# Use calories for comparisons with SUPCRT92
E.units("cal")
diff --git a/vignettes/FAQ.Rmd b/vignettes/FAQ.Rmd
index a014ce1..8abeb0d 100644
--- a/vignettes/FAQ.Rmd
+++ b/vignettes/FAQ.Rmd
@@ -620,4 +620,39 @@ Here are the three plots that we made:
*Answered on 2023-09-08.*
+### What is purpose of the "T" column for minerals and solid and liquid organic species?
+
+The purposes of this column are 1) to list the temperature(s) of transition(s) between polymorphs of a mineral (^) and 2) to indicate the temperature above which a phase is not stable (i.e., melting of a solid or vaporization of a liquid).
+This column does not list the T limit for the Maier-Kelley equation (see Historical Remarks below).
+
+These cases are handled by subcrt() as follows (note that the units of T in the OBIGT database are Kelvin, but subcrt() by default uses °C):
+- For polymorphic transitions, the properties of specific polymorphs are returned:
+
+(^) In both SUPCRT92 and OBIGT, quicksilver, tin, sulfur, and selenium are each listed as minerals with one or more polymorphic transitions, but the highest-temperature polymorph actually represents the liquid state.
+
+- For phase transitions, G of the requested phase is set to NA above the transition temperature:
+
+- If T for a phase is set to NA, then no upper temerature limit is imposed by subcrt().
+
+Historial Remarks:
+Data for minerals from Helgeson et al. (1978) are provided in the default OBIGT database (if they don't conflict with Berman (1988)) and optional SUPCRT92 database.
+The original SUPCRT92 package included "Tmax" values to indicate the (estimated) maximum temperature of validity of the Maier-Kelley equation for heat capacity.
+Calculations at temperatures higher than Tmax produced the warning "CAUTION: BEYOND T LIMIT OF CP COEFFS FOR A MINERAL OR GAS", but the calculated values of thermodynamnic properties were still output by SUPCRT92.
+It follows that "Tmax" in SUPCRT92 does not necessarily correspond to the melting or decomposition temperature of the mineral.
+Except as described below, Tmax values have been *removed* from OBIGT in the development version of CHNOSZ, with the result that subcrt() no longer imposes an uppper temperature limit for the majority of minerals.
+
+OBIGT's T column non-exhaustively lists melting temperatures for minerals, some of which were taken from SUPCRT92's Tmax values while others were taken from RH95 or other sources.
+The minerals with available temperatures of melting (or decomposition or other phase transition, not including polymorphs) include anhydrite, bunsenite, bromellite, chalcocite, chlorargyrite, cinnabar, copper, covellite, cuprite, galena, gold, halite, iron, nickel, pyrite, pyrrhotite, silver, sphalerite, strontianite, sylvite, cassiterite, uraninite, zincite, manganosite, wustite, cobalt monoxide, and zinc.
+Many organic solids and liquids have melting and vaporization temperatures listed as well.
+However, no melting temperatures are listed for minerals represented by the Berman (1988) equations.
+
+If subcrt() is run at temperatures above the melting or vaporization temperature, then values of G and logK are reported as NA and a message is produced (e.g. "XXX").
+This is a design decision that is intended to discourage the user from choosing unrealistic physical states.
+If you want to calculate the extrapolated properties of a phase above its listed transition temperature, then set exceed.Ttr to TRUE.
+
+In general, the removal of Tmax values from SUPCRT92 makes CHNOSZ more permissive with respect to the temperature range of calculations.
+However, OBIGT now uses the decomposition temperature of covellite (780 K from Robie and Hemingway, 1995) in contrast to the previous Tmax from SUPCRT92 (1273 K, which is referenced to an "estimated" Cp equation on p. 62 of Kelley (1960)).
+
+*Answered on 2023-11-14.*
+
## References