Perple_X Solution Model Table Sorted by Solution Names

Symbol

Solution

Formula

Notes

Source

Aki(fab)

akimotoite

Mg_xFe_1–x–yAl_2ySi_1–yO₃, x+y≤1

Estimated regular parameter from source. Ilmenite structure. Use with sfo05ver.dat [33,43].

[17]

Aki(stx7)

akimotoite

Mg_xFe_1–x–yAl_2ySi_1–yO₃, x+y≤1

Ilmenite structure. Use with stx07ver.dat [44].

[44]

Aki(stx8)

akimotoite

Mg_xFe_1–x–yAl_2ySi_1–yO₃, x+y≤1

Ilmenite structure. Use with stx08ver.dat [54].

[54]

Kf

alkali feldspar

Na_xK_1–xAlSi₃O₈

Waldbaum & Thompson mixing model for sanidine combined with low structural state endmembers.

[47]

Anth

anthophyllite

Mg_7xFe_7(1–x)Si₈O₂₂(OH)₂

Ideal, does not extrapolate well to high pressure (P>3GPa).

Atg

antigorite

Mg_48xFe_48(1–x)Si₃₄O₈₅(OH)₆₂ 

Ideal.

Bio(HP)

biotite

K[Mg_xFe_yMn_1–x–y]_3–wAl_1+2wSi_3–wO₁₀(OH)₂, x+y≤1

Speciation model, new parameters from THERMOCALC, extended to cover Mn-solution.

[41]

Bio(TCC)

biotite

K[Mg_xFe_yMn_1–x–y]_{3–u–v–w}Fe³⁺_wTi_uAl_1+vSi_3–vO₁₀(OH)_2-2u, x+y≤1, u+v+w≤1

Ti-oxy and Fe3+-Tschermaks exchanges.

[45]

TiBio(HP)

biotite

K[Mg_xFe_yMn_1–x–y]_3–w–z/2Ti_zAl_1+2wSi_3–wO₁₀(OH)₂, x+y≤1

Bio(HP) extended to cover a, dubious, Ti substitution.

[41,52]

TiBio(WPH)

biotite

K[Mg_xFe_1–x]_{3–u–v–w}Fe³⁺_wTi_uAl_1+vSi_3–vO₁₀(OH)_2-2u, u+v+w≤1

Superior to TiBio(HP), but dubious Ti site population, cf Bio(TCC).

[51]

B

brucite

Mg_xFe_1–x(OH)₂ 

Ideal.

C2/c(stx)

C2/c pyroxene

[Mg_xFe_1–x]₄Si₄O₁₂

Use with sfo05ver.dat [33,43] and stx07ver.dat [44].

[43]

C2/c(stx8)

C2/c pyroxene

[Mg_xFe_1–x]₄Si₄O₁₂

Use with stx08ver.dat [54].

[54]

Cc(AE)

calcite

Ca_1–xMg_xCO₃

Entropy model should be checked against source.

[2]

CF(stx8)

calcium ferrite

Na_xMg_yFe_1–x–yAl_2-xSi_xO₄, x+y≤1

Use with stx08ver.dat [54].

[54]

Chl(HP)

chlorite

[Mg_xFe_wMn_1–x–w]_5–y+zAl_2(1+y–z)Si_3–y+zO₁₀(OH)₈, x+w≤1

Speciation model. Under most circumstances afchl endmember can be excluded to save computational resources.

[29]

Ctd(HP)

chloritoid

Mg_xFe_yMn_1–x–yAl₂SiO₅(OH)₂, x+y≤1

[52]

Amph(DHP)

clinoamphibole

Superceded by Amph(DPW)

[11]

Amph(DPW)

clinoamphibole

Superceded by cAmph(DP).

[12]

cAmph(DP)

clinoamphibole

Ca_2(y+u+v)Na_u+2(w+z)[Mg_xFe_1–x]_{7–3u–2v–4(w+z)}Fe³⁺_2zAl_4y+3v+2wSi_8–(y+v)O₂₂(OH)₂, u+v+w+y+z≤1

Costly speciation model, see commentary in solut_09.dat.

[14]

GlTrTs

clinoamphibole

Ca_2–2wNa_2w[Mg_xFe_1–x]_3+2yAl_3–3y–wSi_7+w+yO₂₂(OH)₂, w+y≤1

Can be used in preference to GlTrTsPg to save computational resources for non-pargasitic (high P) clinoamphibole.

[48,50]

GlTrTsPg

clinoamphibole

Ca_2–2wNa_z+2w[Mg_xFe_1–x]_3+2y+zAl_3–3y–wSi_7+w+yO₂₂(OH)₂, w+y+z≤1

Preferable for calculations over a large pressure range. See also GlTrTs and TrTsPg(HP).

[48,50]

TrTsPg(HP)

clinoamphibole

Ca₂Na_z[Mg_xFe_1–x]_3+2y+zAl_3–3ySi_7+yO₂₂(OH)₂, y+z≤1

Use in preference to GlTrTsPg to reduce costs for glaucophane-poor (low P) clinoamphibole.

[48,50]

chum

clinohumite

Ti-F-OH-Mg-clinohumite.

Model should be checked against source.

[15]

Chum

clinohumite

Mg_9xFe_9(1–x)Si₄O₁₆(OH)₂ 

Ideal.

Cpx(h)

clinopyroxene

Na_1–yCa_y+z[Mg_xFe_1–x]_y–zAl_1-y+zSi_2+zO₆, y+z≤1

High structural state, entropy model should be verified against sources. Stability seems excessive.

[21,22]

Cpx(HP)

clinopyroxene

Na_1–yCa_yMg_xyFe_(1–x)yAl_ySi₂O₆

Disordered, new parameters from THERMOCALC, extended to cover Acmite, CaTs, and Cr-solution

[26]

Cpx(l)

clinopyroxene

Na_1–yCa_y+z[Mg_xFe_1–x]_y–zAl_1-y+zSi_2+zO₆, y+z≤1

Low structural state, entropy model should be verified against sources. Stability seems reasonable.

[21,22]

Cpx(stx)

clinopyroxene

Ca_2yMg_4–2x–2yFe_2xSi₄O₁₂

Use with sfo05ver.dat [33,43].

[43]

Cpx(stx7)

clinopyroxene

Ca_2yMg_4–2x–2yFe_2xSi₄O₁₂

Use with stx07ver.dat [44].

[44]

Cpx(stx8)

clinopyroxene

[Ca_1–x–yNa_xMg_y]₂[Fe_wMg_y+zAl_{1–w–x–y–z}]₂Si₄O₁₂, w+x+y+z≤1

Use with stx08ver.dat [54].

[54]

Omph(HP)

clinopyroxene

Na_y[CaMg_xFe_1–x]_1–yAl_ySi₂O₆

Speciation model, new parameters from THERMOCALC, extended to Fe-solution.

[26]

Omph(GHP)

clinopyroxene

Na_y+w[CaMg_xFe²⁺_(1–x)]_1–y–wAl_yFe³⁺_wSi₂O₆

Costly speciation model.

[25]

Qpx

clinopyroxene

Ca_1–yMg_x(1+y)Fe_(1–x)(1+y)Si₂O₆

C2/c structure. Model should be checked against source.

[39]

lcENDI

clinopyroxne

Ca_1–yMg_1+ySi₂O₆

C2/c structure. Model should be checked against source.

[13]

lcFSHD

clinopyroxne

Ca_1–yFe_1+ySi₂O₆

C2/c structure. Model should be checked against source.

[13]

Clint

clintonite

CaMg_3–xAl_2+2xSi_2–xO₁₀(OH)₂

Ideal.

hCrd

cordierite

Mg_2xFe_2yMn_2(1–x–y)Al₄Si₅O₁₈•(H₂O)_z, x+y≤1

Ideal

Cumm

cummingtonite

Mg_7xFe_7(1–x)Si₈O₂₂(OH)₂

Ideal.

Do(AE)

dolomite

CaMg_xFe_1–x(CO₃)₂

Entropy model should be checked against source.

[2]

Do(HP)

dolomite

CaMg_xFe_1–x(CO₃)₂

[30]

oCcM(HP)

dolomite

Ca_1–xMg_xCO₃

Speciation model.

[28]

Ep(HP)

epidote

Ca₂Al_3–2xFe_2xSi₃O₁₂OH

Speciation model, parameters from THERMOCALC.

AbFsp(C1)

feldspar

K_yNa_xCa_1–x–yAl_2–x–ySi_2+x+yO₈, x+y≤1

C1 structural state. x>2/3, 1–x–y<~1/10. Dubious, see warnings in solution model file.

[28]

feldspar

feldspar

K_yNa_xCa_1–x–yAl_2–x–ySi_2+x+yO₈, x+y≤1

High structural state.

[19]

Fsp(C1)

feldspar

K_yNa_xCa_1–x–yAl_2–x–ySi_2+x+yO₈, x+y≤1

C1 structural state. See warnings in solution model file.

[28]

OrFsp(C1)

feldspar

K_yNa_xCa_1–x–yAl_2–x–ySi_2+x+yO₈, x+y≤1

C1 structural state. y>1/3, 1–x–y<~1/10. Dubious, see warnings in solution model file.

[28]

Pl(I1,HP)

feldspar

K_yNa_xCa_1–x–yAl_2–x–ySi_2+x+yO₈, x+y≤1

I1 structural state. y<0.04, 1–x–y<~1/10. See warnings in solution model file.

[28]

F

fluid

(H₂O)_x(CO₂)_1–x

Can be used with any Perple_X internal fluid EoS that allows X_CO2 as an independent variable.

[10]

F(salt)

fluid

(H₂O)_x(CO₂)_y(NaCl)_1–x–y

Choose fluid EoS #5 (CORK) to use this model! VERTEX will automatically computer activities from the Hafner et al. H₂O-CO₂-NaCl EoS.

[3]

GCOHF

fluid

H_2xO_1–x

Can be used with any Perple_X internal fluid EoS that allows X_O as an independent variable.

[9]

GrAd

garnet

Ca₃Fe³⁺_2(1–x)Al_2xSi₃O₁₂

Ideal.

GrAd(EWHP)

garnet

[Fe_xCa_yMg_1–x–y]₃[Fe_1–wAl_w]₂Si₃O₁₂ x+y ≤1

Verify in original reference that W’s are for ionic model.

[16]

GrPyAlSp(B)

garnet

Fe_3xCa_3yMg_3zMn_{3(1–x–y–z)}Al₂Si₃O₁₂, x+y+z≤1

[5]

GrPyAlSp(G)

garnet

Fe_3xCa_3yMg_3zMn_{3(1–x–y–z)}Al₂Si₃O₁₂, x+y+z≤1

Check against published version.

[20]

Gt(HP)

garnet

Fe_3xCa_3yMg_3zMn_{3(1–x–y–z)}Al₂Si₃O₁₂, x+y+z≤1

[30]

Gt(stx)

garnet

[Fe_xCa_yMg_(1-x+y+z/3)]₃Al_2–2zSi_3+zO₁₂, x+y≤1

Limited majoritic substitution. Use with sfo05ver.dat [33,43] and stx07ver.dat [44].

[43]

Gt(stx8)

garnet

[(Na_1/3Al_2/3)_wFe_xCa_yMg_1-w-x-y]₃[Mg_zAl_1-z-wSi_w+z]₂Si₂O₁₂, w+x+y+z≤1

Use with stx08ver.dat [54].

[54]

Gt(WPH)

garnet

[Fe_xCa_yMg_zMn_{1–x–y–z}]₃[Fe_1–wAl_w]₂Si₃O₁₂ x+y+z≤1

Parameters change with the wind.

[52]

Gl

glaucophane

Na₂Mg_3xFe_3(1–x)Al₂Si₈O₂₂(OH)₂

Ideal. GlTrTsPg model should be preferable.

IlGkPy

ilmenite

Mg_xMn_yFe_1–x–yTiO₃, x+y≤1

Ideal.

IlHm(A)

ilmenite

Fe_2–xTi_xO₃

ilmenite coexisiting with 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.                 

[1]

MF

magnesioferrite

Mg_xFe_3–xO₄

Ideal.

Wus(fab)

magnesiowuestite

Mg_xFe_1–xO

Estimated regular parameter from source. Use with sfo05ver.dat [33,43]

[17]

Wus(stx7)

magnesiowuestite

Mg_xFe_1–xO

Use with stx07ver.dat [44] and stx08ver.dat [54].

[44]

M(HP)

magnesite

Mg_xFe_1–xCO₃

[30]

Mt(W)

magnetite

Ti_xFe_3–xO₄

Valid from 800 to 1300 C.

[53]

MtUl(A)

magnetite

Ti_xFe_3–xO₄

Akimoto model. Gives solvus critical T~763K, x~1/3.

[1]

MaPa

margarite

Ca_xNa_1–xAl_3+xSi_3-xO₁₀(OH)₂

Unpublished fit to field observations, gives solvus with T^crit=972 K, X^ma=1/3.

casmelt

melt

CaO-Al₂O₃-SiO₂ melt

Dubious.

[6]

melt(HP)

melt

Na-Mg-Al-Si-K-Ca-Fe hydrous silicate melt

Model does not behave well at high pressure (P>1GPa), see other warnings in solution model file. For granitic compositions.

[27,49]

MELTS(GS)

melt

Na-Mg-Al-Si-K-Ca-Fe hydrous silicate melt

Model for P<1GPa, see warnings in solution model file. For mafic-ultramafic compositions.

[23]

pMELTS(G)

melt

Na-Mg-Al-Si-K-Ca-Fe hydrous silicate melt

Model for P>1 GPa? See warnings in solution model file. For mafic-ultramafic compositions.

[24]

Toop-melt

melt

Toop-Samis model for anhydrous silicate melts

[40]

KN-Phen

mica

K_xNa_1–xMg_yFe_zAl_3–2(y+z)Si_3+y+zO₁₀(OH)₂, z+y≤1

Extension of MuPa solution model for phengite.

MuPa

mica

K_xNa_1–xAl₃Si₃O₁₀(OH)₂

Basis for most white mica models.

[7]

Pheng(HP)

mica

K_xNa_1–xMg_yFe_zAl_3–2(y+z)Si_3+y+zO₁₀(OH)₂

Only for potassic phengite. Parameters from THERMOCALC.

Mica(CHA)

mica

K_yCa_xNa_1–x–y(Mg_1-uFe_u)_zMg_w Ti_wAl_3+x-w-zSi_3-x+zO₁₀(OH)₂, x+y≤1, w+z≤y,

Less costly than Mica(CHA1) because it does not allow Ti and Tschermaks substitutions in Ca- and Na- subsystems.

[4,8]

Mica(CHA1)

mica

K_yCa_xNa_1–x–y(Mg_1-uFe_u)_w+z Ti_wAl_3+x-w-zSi_3-x+zO₁₀(OH)₂, x+y≤1, w+z≤1

See Mica(CHA); allows Ti and Tschermaks substitutions in Ca- and Na- subsystems.

[4,8]

Mont

monticellite

Ca_xMg_2–xSiO₄

Ideal.

Neph(FB)

nepheline

Na_xK_1–xAlSiO₄

[18]

O(HP)

olivine

Mg_2xFe_2yMn_2(1–x–y)SiO₄, x+y≤1

[30]

O(SG)

olivine

Mg_2xFe_2–2xSiO₄

Original model refit with one-parameter speciation model.

[42]

O(stx)

olivine

[Mg_xFe_1–x]₂SiO₄

Use with sfo05ver.dat [33,43]

[43]

O(stx7)

olivine

[Mg_xFe_1–x]₂SiO₄

Use with stx07ver.dat [44].

[44]

O(stx8)

olivine

[Mg_xFe_1–x]₂SiO₄

Use with stx08ver.dat [54].

[54]

oAmph(DP)

orthoamphibole

Ca_2uNa_u+2(w+z)[Mg_xFe_1–x]_{7–3u–2v–4(w+z)}Fe³⁺_2zAl_4y+3v+2wSi_8–(y+v)O₂₂(OH)₂, u+v+w+y+z≤1

Two parameter speciation model (costly), see comments in solut_09.dat.

[14]

Mn-Opx

orthopyroxene

[Mn_wMg_xFe_1–x–w]_2–yAl_2ySi_2–yO₆, x+w≤1

Should be merged with Opx(HP).

Opx(HP)

orthopyroxene

[Mg_xFe_1–x]_2–yAl_2ySi_2–yO₆

Speciation model.

[26]

Opx(stx)

orthopyroxene

[Mg_xFe_1–x]_4–2yAl_4(1–y)Si₄O₁₂

Use with sfo05ver.dat [33,43] and stx07ver.dat [44].

[43]

Opx(stx8)

orthopyroxene

[Ca_wFe_xMg_1–x–w]₂[Fe_xAl_yMg_1–x–y]₂Si₄O₁₂, x+w≤1, x+y≤1

Use with stx08ver.dat [54].

[54]

Osm(HP)

osumilite

KFe_2–2xMg_2x+yAl_5–ySi_7+yO₃₀

Ideal.

[31]

P

periclase

Mg_xFe_1–xO

Ideal.

Pv(fab)

perovskite

Mg_xFe_1–x–yAl_2ySi_1–yO₃, x+y≤1

Estimated regular parameter from source. Use with sfo05ver.dat [33,43].

[17]

Pv(stx7)

perovskite

Mg_xFe_1–x–yAl_2ySi_1–yO₃, x+y≤1

Use with stx07ver.dat [44] and stx08ver.dat [54].

[44]

A-phase

phase A

Mg_7xFe_7(1–x)Si₂O₈(OH)₆

Ideal.

Fphl

phlogopite

KMg₃AlSi₃O₁₀(OH)_2(1–x)F_x

Ideal.

Pl(h)

plagioclase

Na_xCa_1–xAl_2–xSi_2+xO₈

High structural state.

[35]

Pl(stx8)

plagioclase

Na_xCa_1–xAl_2–xSi_2+xO₈

Use with stx08ver.dat [54].

[54]

Ppv(og)

post-perovskite

Mg_xFe_1–x–yAl_2ySi_1–yO₃, x+y≤1

Ideal (Henry’s law limit). Use with sfo05ver.dat [33,43] and stx07ver.dat [44].

[37],[38]

Ppv(stx8)

post-perovskite

Mg_xFe_1–x–yAl_2ySi_1–yO₃, x+y≤1

Use with stx08ver.dat [54].

[54]

Pmp

pumpellyite

pmp-fpmp-mpmp

Model from Claudio Mazzoli.

Ring(stx)

ringwoodite

[Mg_xFe_1–x]₂SiO₄

Use with sfo05ver.dat [33,43].

[43]

Ring(stx7)

ringwoodite

[Mg_xFe_1–x]₂SiO₄

Use with stx07ver.dat [44].

[44]

Ring(stx8)

ringwoodite

[Mg_xFe_1–x]₂SiO₄

Use with stx08ver.dat [54].

[54]

San

sanidine

Na_xK_1–xAlSi₃O₈

[47]

San(TH)

sanidine

Na_xK_1–xAlSi₃O₈

[46]

Sapp

sapphirine

[Mg_xFe_1–x]_4–y/2Al_9–ySi_2–y/2O₂₀

Ideal, site occupancies as in THERMOCALC but extended for Fe-solution, see model comments.

Scap

scapolite

Na_3–3xCa_1+3xAl_3(1+x)Si_6–3xO₂₄CO₃

Presumably from B.K. Kuhn’s Phd.

Scp

scapolite

mizzonite-meionite

Site occupancies as in R. Abart’s Ph.D. thesis, ETH, 1995.

GaHcSp

spinel

Mg_xFe_yZn_1–x–yAl₂O₃, x+y≤1

Normal spinel, data from Jiri Konopasek.

[36]

Sp(GS)

spinel

Mg_xFe_1–xAl₂O₃

From Ganguly & Saxena,'87. Ghiorso ’91 is similar.

Sp(HP)

spinel

Mg_xFe_1–xAl₂O₃

Sp(JR)

spinel

Mg_xFe_1–xAl₂O₃

[32]

Sp(stx)

spinel

Mg_xFe_1–xAl₂O₃

1/8 inverse spinel. Use with sfo05ver.dat [33,43]

[43]

Sp(stx7)

spinel

Mg_xFe_1–xAl₂O₃

Use with stx07ver.dat [44].

[44]

Sp(stx8)

spinel

Mg_xFe_1–xAl₂O₃

Use with stx08ver.dat [54].

[54]

St(HP)

staurolite

Mg_4xFe_4yMn_4(1–x–y)Al₁₈Si_7.5O₄₈H₄, x+y≤1

Parameters from THERMOCALC.

Sud

sudoite

Mg_2xFe_2–2xAl₄Si₃O₁₀(OH)₄

Ideal, mixing on 2 octahedral sites.

Sud(Livi)

sudoite

Mg_2xFe_2–2xAl₄Si₃O₁₀(OH)₄

Ideal, mixing on 4 octahedral sites.

[34]

T

talc

[Mg_xFe_1–x]_3–yAl_2ySi_4–yO₁₀(OH)₂

Ideal.

Tr

tremolite

Ca₂Mg_5xFe_5(1–x)Si₈O₂₂(OH)₂

Ideal. GlTrTsPg model should be preferable.

Wad(stx)

waddsleyite

[Mg_xFe_1–x]₂SiO₄

Use with sfo05ver.dat [33,43]

[43]

Wad(stx7)

waddsleyite

[Mg_xFe_1–x]₂SiO₄

Use with stx07ver.dat [44].

[44]

Wad(stx8)

waddsleyite

[Mg_xFe_1–x]₂SiO₄

Use with stx08ver.dat [54].

[54]