1
Solution notation, formulae and model sources. Unless otherwise noted, the compositional
variables v, w, x, y, and z may vary between zero and unity and are determined in Perple_X as a
function of the computational variables by free-energy minimization.
Symbol
AbFsp(C1)
Solution
feldspar
Aki(fab)
akimotoite
Aki(stx7)
akimotoite
Aki(stx8)
akimotoite
Amph(DHP)
Amph(DPW)
Anth
clinoamphibole
clinoamphibole
anthophyllite
A-phase
Atg
B
Bio(HP)
phase A
antigorite
brucite
biotite
Bio(TCC)
biotite
Formula
KyNaxCa1–x–yAl2–x–ySi2+x+yO8,
x+y≤1
Notes
Source
C1 structural state. x>2/3, 1–x– [28]
y<~1/10. Dubious, see warnings
in solution model file.
MgxFe1–x–yAl2ySi1–yO3, x+y≤1 Estimated regular parameter from [17]
source. Ilmenite structure. Use
with sfo05ver.dat [33,44].
MgxFe1–x–yAl2ySi1–yO3, x+y≤1 Ilmenite structure. Use with
[45]
stx07ver.dat [45].
MgxFe1–x–yAl2ySi1–yO3, x+y≤1 Ilmenite structure. Use with
[55]
stx08ver.dat [55].
Superceded by Amph(DPW)
[11]
Superceded by cAmph(DP).
[12]
Mg7xFe7(1–x)Si8O22(OH)2
Ideal, does not extrapolate well
to high pressure (P>3GPa).
Mg7xFe7(1–x)Si2O8(OH)6
Ideal.
Mg48xFe48(1–x)Si34O85(OH)62
Ideal.
MgxFe1–x(OH)2
Ideal.
K[MgxFeyMn1–x–y]3–wAl1+2wSi3– Speciation model, new parameters [42]
from THERMOCALC, extended to
wO10(OH)2, x+y≤1
cover Mn-solution.
K[MgxFeyMn1–x–y]3–u–v–
Ti-oxy and Fe3+-Tschermaks
[46]
3+
wFe wTiuAl1+vSi3–vO10(OH)2-2u, exchanges.
x+y≤1, u+v+w≤1
2
C2/c(stx)
C2/c pyroxene
[MgxFe1–x]4Si4O12
Use with sfo05ver.dat [33,44]
and stx07ver.dat [45].
Use with stx08ver.dat [55].
Costly speciation model, see
commentary in solut_09.dat.
[44]
C2/c(stx8)
cAmph(DP)
C2/c pyroxene
clinoamphibole
casmelt
Cc(AE)
melt
calcite
CF(stx8)
calcium ferrite
Chl(HP)
chlorite
chum
clinohumite
Chum
Clint
Cpx(h)
clinohumite
clintonite
clinopyroxene
Cpx(HP)
clinopyroxene
[MgxFe1–x]4Si4O12
[55]
Ca2(y+u+v)Nau+2(w+z)[MgxFe1–x]7–
[14]
3u–2v–4(w+z)Fe3+2zAl4y+3v+2wSi8–
(y+v)O22(OH)2, u+v+w+y+z≤1
CaO-Al2O3-SiO2 melt
Dubious.
[6]
Ca1–xMgxCO3
Entropy model should be checked [2]
against source.
NaxMgyFe1–x–yAl2-xSixO4,
Use with stx08ver.dat [55].
[55]
x+y≤1
[MgxFewMn1–x–w]5–y+zAl2(1+y–
Speciation model. Under most
[29]
circumstances afchl endmember
z)Si3–y+zO10(OH)8, x+w≤1
can be excluded to save
computational resources.
Ti-F-OH-Mg-clinohumite.
Model should be checked against [15]
source.
Mg9xFe9(1–x)Si4O16(OH)2
Ideal.
CaMg3–xAl2+2xSi2–xO10(OH)2
Ideal.
Na1–yCay+z[MgxFe1–x]y–zAl1High structural state, entropy [21,22]
model should be verified against
y+zSi2+zO6, y+z≤1
sources. Stability seems
excessive.
Na1–yCayMgxyFe(1–x)yAlySi2O6
Disordered, new parameters from [26]
THERMOCALC, extended to cover
Acmite, CaTs, and Cr-solution
3
Cpx(l)
clinopyroxene
Cpx(stx)
Cpx(stx7)
Cpx(stx8)
clinopyroxene
clinopyroxene
clinopyroxene
Ctd(HP)
chloritoid
Cumm
Do(AE)
cummingtonite
dolomite
Do(HP)
Ep(HP)
dolomite
epidote
F
fluid
F(salt)
fluid
feldspar
feldspar
Fphl
Fsp(C1)
phlogopite
feldspar
Na1–yCay+z[MgxFe1–x]y–zAl1y+zSi2+zO6, y+z≤1
Low structural state, entropy
[21,22]
model should be verified against
sources. Stability seems
reasonable.
Ca2yMg4–2x–2yFe2xSi4O12
Use with sfo05ver.dat [33,44]. [44]
Ca2yMg4–2x–2yFe2xSi4O12
Use with stx07ver.dat [45].
[45]
[Ca1–x–yNaxMgy]2[FewMgy+zAl1–w– Use with stx08ver.dat [55].
[55]
x–y–z]2Si4O12, w+x+y+z≤1
MgxFeyMn1–x–yAl2SiO5(OH)2,
[53]
x+y≤1
Mg7xFe7(1–x)Si8O22(OH)2
Ideal.
CaMgxFe1–x(CO3)2
Entropy model should be checked [2]
against source.
CaMgxFe1–x(CO3)2
[30]
Ca2Al3–2xFe2xSi3O12OH
Speciation model, parameters
from THERMOCALC.
Can be used with any Perple_X
(H2O)x(CO2)1–x
[10]
internal fluid EoS that allows
XCO2 as an independent variable.
(H2O)x(CO2)y(NaCl)1–x–y
Choose fluid EoS #5 (CORK) to
[3]
use this model! VERTEX will
automatically computer
activities from the Hafner et
al. H2O-CO2-NaCl EoS.
KyNaxCa1–x–yAl2–x–ySi2+x+yO8,
High structural state.
[19]
x+y≤1
KMg3AlSi3O10(OH)2(1–x)Fx
Ideal.
KyNaxCa1–x–yAl2–x–ySi2+x+yO8,
C1 structural state. See
[28]
x+y≤1
warnings in solution model file.
4
GaHcSp
spinel
MgxFeyZn1–x–yAl2O3, x+y≤1
GCOHF
fluid
H2xO1–x
Gl
glaucophane
Na2Mg3xFe3(1–x)Al2Si8O22(OH)2
GlTrTs
clinoamphibole
Ca2–2wNa2w[MgxFe1–x]3+2yAl3–3y–
wSi7+w+yO22(OH)2, w+y≤1
GlTrTsPg
clinoamphibole
Ca2–2wNaz+2w[MgxFe1–x]3+2y+zAl3–
3y–wSi7+w+yO22(OH)2, w+y+z≤1
GrAd
GrAd(EWHP)
garnet
garnet
Ca3Fe3+2(1–x)Al2xSi3O12
[FexCayMg1–x–y]3[Fe1–
wAlw]2Si3O12 x+y ≤1
Fe3xCa3yMg3zMn3(1–x–y–
z)Al2Si3O12, x+y+z≤1
Fe3xCa3yMg3zMn3(1–x–y–
z)Al2Si3O12, x+y+z≤1
Fe3xCa3yMg3zMn3(1–x–y–
z)Al2Si3O12, x+y+z≤1
[FexCayMg(1-x+y+z/3)]3Al2–
2zSi3+zO12, x+y≤1
GrPyAlSp(B) garnet
GrPyAlSp(G) garnet
Gt(HP)
garnet
Gt(stx)
garnet
Gt(stx8)
garnet
[(Na1/3Al2/3)wFexCayMg1-w-xy]3[MgzAl1-z-wSiw+z]2Si2O12,
w+x+y+z≤1
Normal spinel, data from Jiri
[37]
Konopasek.
Can be used with any Perple_X
[9]
internal fluid EoS that allows
XO as an independent variable.
Ideal. GlTrTsPg model should be
preferable.
Can be used in preference to
[49,51]
GlTrTsPg to save computational
resources for non-pargasitic
(high P) clinoamphibole.
Preferable for calculations over [49,51]
a large pressure range. See also
GlTrTs and TrTsPg(HP).
Ideal.
Verify in original reference
[16]
that W’s are for ionic model.
[5]
Check against published version. [20]
[30]
Limited majoritic substitution. [44]
Use with sfo05ver.dat [33,44]
and stx07ver.dat [45].
Use with stx08ver.dat [55].
[55]
5
Gt(WPH)
garnet
hCrd
cordierite
IlGkPy
IlHm(A)
ilmenite
ilmenite
[FexCayMgzMn1–x–y–z]3[Fe1–
wAlw]2Si3O12 x+y+z≤1
Mg2xFe2yMn2(1–x–
y)Al4Si5O18•(H2O)z, x+y≤1
MgxMnyFe1–x–yTiO3, x+y≤1
Fe2–xTixO3
Kf
alkali feldspar
NaxK1–xAlSi3O8
KN-Phen
mica
lcENDI
clinopyroxne
KxNa1–xMgyFezAl3–
2(y+z)Si3+y+zO10(OH)2, z+y≤1
Ca1–yMg1+ySi2O6
lcFSHD
clinopyroxne
Ca1–yFe1+ySi2O6
M(HP)
MaPa
magnesite
margarite
MgxFe1–xCO3
CaxNa1–xAl3+xSi3-xO10(OH)2
melt(HP)
melt
Na-Mg-Al-Si-K-Ca-Fe
hydrous silicate melt
Parameters change with the wind. [53]
Ideal
Ideal.
ilmenite coexisiting with
[1]
magnetite, its performance at
T~1473 K criticized by Ghiorso,
but this probably the best model
for T<1073 K. Gives solvus
critical T~973 K, x~1/2.
Waldbaum & Thompson mixing model [48]
for sanidine combined with low
structural state endmembers.
Extension of MuPa solution model
for phengite.
C2/c structure. Model should be [13]
checked against source.
C2/c structure. Model should be [13]
checked against source.
[30]
Unpublished fit to field
observations, gives solvus with
Tcrit=972 K, Xma=1/3.
Model does not behave well at
[27,50]
high pressure (P>1GPa), see
other warnings in solution model
file. For granitic compositions.
6
MELTS(GS)
melt
MF
Mn-Opx
magnesioferrite
orthopyroxene
Mica(CHA)
mica
Mica(CHA1)
mica
Mont
Mt(W)
MtUl(A)
monticellite
magnetite
magnetite
MuPa
mica
Neph(FB)
O(HP)
O(SG)
nepheline
olivine
olivine
O(stx)
O(stx7)
O(stx8)
oCcM(HP)
olivine
olivine
olivine
dolomite
Na-Mg-Al-Si-K-Ca-Fe
hydrous silicate melt
Model for P<1GPa, see warnings [23]
in solution model file. For
mafic-ultramafic compositions.
MgxFe3–xO4
Ideal.
[MnwMgxFe1–x–w]2–yAl2ySi2–yO6, Should be merged with Opx(HP).
x+w≤1
KyCaxNa1–x–y(Mg1-vFev)zMgw
Less costly than Mica(CHA1)
[4,8]
TiwAl3+x-w-zSi3-x+zO10(OH)2,
because it does not allow Ti and
x+y≤1, w+z≤y,
Tschermaks substitutions in Caand Na- subsystems.
KyCaxNa1–x–y(Mg1-vFev)w+z
See Mica(CHA); allows Ti and
[4,8]
TiwAl3+x-w-zSi3-x+zO10(OH)2,
Tschermaks substitutions in Cax+y≤1, w+z≤1
and Na- subsystems.
CaxMg2–xSiO4
Ideal.
TixFe3–xO4
Valid from 800 to 1300 C.
[54]
TixFe3–xO4
Akimoto model. Gives solvus
[1]
critical T~763K, x~1/3.
KxNa1–xAl3Si3O10(OH)2
Basis for most white mica
[7]
models.
NaxK1–xAlSiO4
[18]
Mg2xFe2yMn2(1–x–y)SiO4, x+y≤1
[30]
Mg2xFe2–2xSiO4
Original model refit with one- [43]
parameter speciation model.
[MgxFe1–x]2SiO4
Use with sfo05ver.dat [33,44]
[44]
[MgxFe1–x]2SiO4
Use with stx07ver.dat [45].
[45]
[MgxFe1–x]2SiO4
Use with stx08ver.dat [55].
[55]
Ca1–xMgxCO3
Speciation model.
[28]
7
Omph(HP)
clinopyroxene
Nay[CaMgxFe1–x]1–yAlySi2O6
Omph(GHP)
clinopyroxene
Opx(HP)
Opx(stx)
orthopyroxene
orthopyroxene
Nay+w[CaMgxFe2+(1–x)]1–y–
wAlyFe3+wSi2O6
[MgxFe1–x]2–yAl2ySi2–yO6
[MgxFe1–x]4–2yAl4(1–y)Si4O12
Opx(stx8)
orthopyroxene
OrFsp(C1)
feldspar
oAmph(DP)
orthoamphibole
Osm(HP)
P
Pheng(HP)
osumilite
periclase
mica
Pl(h)
Pl(I1,HP)
plagioclase
feldspar
Pl(stx8)
pMELTS(G)
plagioclase
melt
Pmp
pumpellyite
Speciation model, new parameters [26]
from THERMOCALC, extended to Fesolution.
Costly speciation model.
[25]
Speciation model.
Use with sfo05ver.dat [33,44]
and stx07ver.dat [45].
Use with stx08ver.dat [55].
[26]
[44]
[CawFexMg1–x–w]2[FexAlyMg1–x–
[55]
y]2Si4O12, x+w≤1, x+y≤1
KyNaxCa1–x–yAl2–x–ySi2+x+yO8,
C1 structural state. y>1/3, 1–x– [28]
x+y≤1
y<~1/10. Dubious, see warnings
in solution model file.
Ca2uNau+2(w+z)[MgxFe1–x]7–3u–2v– Two parameter speciation model [14]
(costly), see comments in
4(w+z)Fe3+2zAl4y+3v+2wSi8–
solut_09.dat.
(y+v)O22(OH)2, u+v+w+y+z≤1
KFe2–2xMg2x+yAl5–ySi7+yO30
Ideal.
[31]
MgxFe1–xO
Ideal.
KxNa1–xMgyFezAl3–
Only for potassic phengite.
Parameters from THERMOCALC.
2(y+z)Si3+y+zO10(OH)2
NaxCa1–xAl2–xSi2+xO8
High structural state.
[36]
KyNaxCa1–x–yAl2–x–ySi2+x+yO8,
I1 structural state. y<0.04, 1– [28]
x+y≤1
x–y<~1/10. See warnings in
solution model file.
NaxCa1–xAl2–xSi2+xO8
Use with stx08ver.dat [55].
[55]
Na-Mg-Al-Si-K-Ca-Fe
Model for P>1 GPa? See warnings [24]
hydrous silicate melt
in solution model file. For
mafic-ultramafic compositions.
pmp-fpmp-mpmp
Model from Claudio Mazzoli.
8
Ppv(og)
post-perovskite
MgxFe1–x–yAl2ySi1–yO3, x+y≤1
Ppv(stx8)
Pu(MW)
Pv(fab)
post-perovskite
pumpellyite
perovskite
MgxFe1–x–yAl2ySi1–yO3, x+y≤1
pmp-fpmp-mpmp
MgxFe1–x–yAl2ySi1–yO3, x+y≤1
Pv(stx7)
perovskite
Qpx
clinopyroxene
Ring(stx)
Ring(stx7)
Ring(stx8)
San
San(TH)
Sapp
ringwoodite
ringwoodite
ringwoodite
sanidine
sanidine
sapphirine
Scap
Scp
scapolite
scapolite
Sp(GS)
spinel
Sp(HP)
Sp(JR)
spinel
spinel
Ideal (Henry’s law limit). Use
with sfo05ver.dat [33,44] and
stx07ver.dat [45].
Use with stx08ver.dat [55].
[38],[39]
[55]
[35]
Estimated regular parameter from [17]
source. Use with sfo05ver.dat
[33,44].
MgxFe1–x–yAl2ySi1–yO3, x+y≤1 Use with stx07ver.dat [45] and [45]
stx08ver.dat [55].
Ca1–yMgx(1+y)Fe(1–x)(1+y)Si2O6
C2/c structure. Model should be [40]
checked against source.
[MgxFe1–x]2SiO4
Use with sfo05ver.dat [33,44]. [44]
[MgxFe1–x]2SiO4
Use with stx07ver.dat [45].
[45]
[MgxFe1–x]2SiO4
Use with stx08ver.dat [55].
[55]
NaxK1–xAlSi3O8
[48]
NaxK1–xAlSi3O8
[47]
[MgxFe1–x]4–y/2Al9–ySi2–y/2O20 Ideal, site occupancies as in
THERMOCALC but extended for Fesolution, see model comments.
Na3–3xCa1+3xAl3(1+x)Si6–3xO24CO3 Presumably from B.K. Kuhn’s Phd.
mizzonite-meionite
Site occupancies as in R.
Abart’s Ph.D. thesis, ETH, 1995.
MgxFe1–xAl2O3
From Ganguly & Saxena,'87.
Ghiorso ’91 is similar.
MgxFe1–xAl2O3
MgxFe1–xAl2O3
[32]
9
Sp(stx)
spinel
MgxFe1–xAl2O3
Sp(stx7)
Sp(stx8)
St(HP)
spinel
spinel
staurolite
Sud
sudoite
MgxFe1–xAl2O3
MgxFe1–xAl2O3
Mg4xFe4yMn4(1–x–
y)Al18Si7.5O48H4, x+y≤1
Mg2xFe2–2xAl4Si3O10(OH)4
Sud(Livi)
sudoite
T
talc
TiBio(HP)
biotite
TiBio(WPH)
biotite
Toop-melt
melt
Tr
tremolite
TrTsPg(HP)
clinoamphibole
Ca2Naz[MgxFe1–x]3+2y+zAl3–
3ySi7+yO22(OH)2, y+z≤1
Wad(stx)
Wad(stx7)
Wad(stx8)
waddsleyite
waddsleyite
waddsleyite
[MgxFe1–x]2SiO4
[MgxFe1–x]2SiO4
[MgxFe1–x]2SiO4
1/8 inverse spinel. Use with
sfo05ver.dat [33,44]
Use with stx07ver.dat [45].
Use with stx08ver.dat [55].
Parameters from THERMOCALC.
Ideal, mixing on 2 octahedral
sites.
Mg2xFe2–2xAl4Si3O10(OH)4
Ideal, mixing on 4 octahedral
sites.
[MgxFe1–x]3–yAl2ySi4–yO10(OH)2 Ideal.
K[MgxFeyMn1–x–y]3–w–
z/2TizAl1+2wSi3–wO10(OH)2,
x+y≤1
K[MgxFe1–x]3–u–v–
wFe3+wTiuAl1+vSi3–vO10(OH)2-2u,
u+v+w≤1
Toop-Samis model for
anhydrous silicate melts
Ca2Mg5xFe5(1–x)Si8O22(OH)2
[44]
[45]
[55]
[34]
Bio(HP) extended to cover a,
dubious, Ti substitution.
[42,53]
Superior to TiBio(HP), but
dubious Ti site population, cf
Bio(TCC).
[52]
[41]
Ideal. GlTrTsPg model should be
preferable.
Use in preference to GlTrTsPg to [49,51]
reduce costs for glaucophanepoor (low P) clinoamphibole.
Use with sfo05ver.dat [33,44]
[44]
Use with stx07ver.dat [45].
[45]
Use with stx08ver.dat [55].
[55]
10
Wus(fab)
magnesiowuestite MgxFe1–xO
Wus(stx7)
magnesiowuestite MgxFe1–xO
Estimated regular parameter from [17]
source. Use with sfo05ver.dat
[33,44]
Use with stx07ver.dat [45] and [45]
stx08ver.dat [55].
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Andersen DJ,Lindsley DH (1988) Internally Consistent Solution Models for Fe-Mg-Mn-Ti Oxides
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[6] Berman RG,Brown TH (1984) A thermodynamic model for multicomponent melts, with application
to the system CaO-Al2O3-SiO2. Geochimica Et Cosmochimica Acta 48:661-78.
[7] Chatterjee ND,Froese E (1975) A thermodynamic study of the pseudo-binary join muscoviteparagonite in the system KAlSi3O8-NaAlSi3O8-Al2O3-SiO2-H2O. American Mineralogist 60:985-93.
[8] Coggon R,Holland TJB (2002) Mixing properties of phengitic micas and revised garnet-phengite
thermobarometers. Journal of Metamorphic Geology 20:683-96.
[9] Connolly JAD (1995) Phase-diagram methods for graphitic rocks and application to the system
C-O-H-FeO-TiO2-SiO2. Contributions to Mineralogy and Petrology 119:94-116.
[10] Connolly JAD,Trommsdorff V (1991) Petrogenetic grids for metacarbonate rocks - pressuretemperature phase-diagram projection for mixed-volatile systems. Contributions to Mineralogy
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3
11
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of Metamorphic Geology 23:771-91.
[13] Davidson PM, Lindsley DH,Carlson WD (1988) Thermochemistry of pyroxenes on the join Mg2Si2O6CaMgSi2O6 - a revision of the model for pressures up to 30-Kbar. American Mineralogist
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