header
=================================================================
The 'metapelite set' of x-eos in KFMASH

checked and uploaded 12-12-2019 by ecrg

Use with:
  - tc-ds62.txt
  - tc350 and above

File history:
- First provided as tc-6KFMASH (Mainz website download, 2014).
- Re-formatted for tc350 by ecrg 29-11-19


Please read the README file in this distribution before using 
these a-x relations.


Solution phases: g liq mu bi opx sa cd st chl ctd sp1 
% =================================================================
header


g  2  1

verbatim
% =================================================================
% garnet: FMS
%
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
% 
% coded by axe attack on 05 July 2013
% 
% E-m  Formula      Mixing site
%                     X             
%                     Mg    Fe      
% py   Mg3Al2Si3O12   3     0       
% alm  Fe3Al2Si3O12   0     3       
%
% x -> xFeX/(xFeX + xMgX)
% -------------------------------------------------
verbatim 

  x(g)             0.9
% -------------------------------------------------
 
p(py)      1 1    1  1  -1  x
 
p(alm)     1 1    0  1  1  x
% -------------------------------------------------
sf
W(py,alm)                2.5           0         0
 
% -------------------------------------------------
2
 
xMgX       1 1    1  1  -1  x
 
xFeX       1 1    0  1  1  x
% -------------------------------------------------
 
py      1    1  xMgX 3  
  check 0  
 
alm     1    1  xFeX 3  
  check 1  
% ====================================================================


liq  6  1

verbatim
% =================================================
% Granitic 'metapelite' melt: KFMASH
% 
% Whiteh2oL, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
%
%  E-m    Formula                     Mixing sites			         
%	               M*         V         molecular mixing
%	               Mg4 Fe4    v2 H2   Si4O8  KAlSi3O8 8/5*(Al2SiO5) Si2O8
%  q4L	  Si4O8	                  1   0       1      0        0          0 
%  kspL   KAlSi3O8                1   0       0      1        0          0  
%  slL    8/5*(Al2SiO5)           1   0       0      0        1          0 
%  fo2L   Mg4Si2O8      1   0     1   0       0      0        0          1 
%  fa2L   Fe4Si2O8      0   1     1   0       0      0        0          1 
%  h2oL   H2O                     0   1       
%              *use 5-fold entropy of mixing from M site
%
%
%  q -> Si4O8 / denom
%  fsp -> KAlSi3O8 / denom
%  ol -> Si2O8 / denom
%  x -> Fe/(Fe + Mg)
%  h2o -> H2O / denom            
%
%  where denom = Si4O8 + KAlSi3O8 + 8/5*(Al2SiO5) + Si2O8 + H2O
% -------------------------------------------------
verbatim
 
  q(liq)           0.1814
  fsp(liq)         0.349
  ol(liq)          0.01373
  x(liq)           0.7333
  h2o(liq)         0.4276
% -------------------------------------------------
 
p(q4L)      1 1    0  1  1  q
 
p(kspL)     1 1    0  1  1  fsp
 
p(slL)      1 1    1  4  -1  fsp  -1  h2o  -1  ol  -1  q
 
p(fo2L)     2 1    0  1   1  ol
              2    0  1  -1  ol    0  1  1  x
 
p(fa2L)     1 2    0  1  1  ol    0  1  1  x
 
p(h2oL)     1 1    0  1  1  h2o
% -------------------------------------------------
sf
W(q4L,kspL)               -2           0      -0.5
W(q4L,slL)                12           0         0
W(q4L,fo2L)               12           0      -0.4
W(q4L,fa2L)               14           0         0
W(q4L,h2oL)               17           0      -0.5
W(kspL,slL)               12           0         0
W(kspL,fo2L)              12           0         0
W(kspL,fa2L)              12           0         0
W(kspL,h2oL)             9.5           0      -0.3
W(slL,fo2L)               12           0         0
W(slL,fa2L)               12           0         0
W(slL,h2oL)               11           0         0
W(fo2L,fa2L)              18           0         0
W(fo2L,h2oL)              11           0      -0.5
W(fa2L,h2oL)              12           0         0
 
% -------------------------------------------------
8
 
fac        1 1    1  1  -1  h2o
 
pq         1 1    0  1  1  q
 
xksp       1 1    0  1  1  fsp
 
psil       1 1    1  4  -1  fsp  -1  h2o  -1  ol  -1  q
 
pol        1 1    0  1  1  ol
 
xFe        1 1    0  1  1  x
 
xMg        1 1    1  1  -1  x
 
ph2o       1 1    0  1  1  h2o
% -------------------------------------------------
 
q4L     1  2      fac  1     pq  1     
  make  1       qL    4
 
kspL    1  2      fac  1     xksp  1     
 
slL     1  2      fac  1     psil  1     
  make  1     silL  8/5
  delG(mod)  -23   0   0
 
fo2L    1  3      fac  1     pol  1     xMg  5     
  make  1      foL    2
  delG(mod)  -10   0   0
 
fa2L    1  3      fac  1     pol  1     xFe  5     
  make  1      faL    2
  delG(mod)  -9   0   -1.3
 
h2oL    1  1      ph2o  2     
% ====================================================================


mu  3  1

verbatim
% ====================================================================
% muscovite: FMASH
% 
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
%
% coded by axe attack on 05 July 2013
% 
% E-m  Formula                   Mixing sites
%                         M2A                 T1            
%                         Mg    Fe    Al      Si    Al      
% mu   KAl3Si3O12(OH)2    0     0     1       1     1       
% cel  KMgAlSi4O10(OH)2   1     0     0       2     0       
% fcel KFeAlSi4O10(OH)2   0     1     0       2     0       
%
% x -> xFeM2A/(xFeM2A + xMgM2A)
% y -> xAlM2A
% -------------------------------------------------
verbatim
 
  x(mu)            0.25
  y(mu)            0.6
% -------------------------------------------------
 
p(mu)      1 1    0  1  1  y
 
p(cel)     2 1    1  2  -1  x  -1  y
             2    0  1  1  x    0  1  1  y
 
p(fcel)    2 1    0  1   1  x
             2    0  1  -1  x    0  1  1  y
% -------------------------------------------------
asf
W(mu,cel)                  0           0       0.2
W(mu,fcel)                 0           0       0.2
W(cel,fcel)                0           0         0
 
a(mu)              0.63         0         0
a(cel)             0.63         0         0
a(fcel)            0.63         0         0
% -------------------------------------------------
5
 
xMgM2A     2 1    1  2  -1  x  -1  y
             2    0  1  1  x    0  1  1  y
 
xFeM2A     2 1    0  1   1  x
             2    0  1  -1  x    0  1  1  y
 
xAlM2A     1 1    0  1  1  y
 
xSiT1      1 1    1  1  -1/2  y
 
xAlT1      1 1    0  1  1/2  y
% -------------------------------------------------
 
mu      4    3  xAlM2A 1  xSiT1 1  xAlT1 1  
  check 0  1  
 
cel     1    2  xMgM2A 1  xSiT1 2  
  check 0  0  
 
fcel    1    2  xFeM2A 1  xSiT1 2  
  check 1  0  
% ====================================================================


bi  4  1

verbatim
% ====================================================================
% biotite: KFMASH
% 
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
%
% coded by axe attack on 05 July 2013
% 
% E-m    Formula                             Mixing sites
%                             M3                  M12           T             
%                             Mg    Fe    Al      Mg    Fe      Si    Al      
% phl   KMg3AlSi3O10(OH)2     1     0     0       2     0       1     1       
% annm  KFe3AlSi3O10(OH)2     0     1     0       0     2       1     1       
% obi   KMg2Fe1AlSi3O10(OH)2  0     1     0       2     0       1     1     - ordered intermediate    
% east  KMg2Al3Si2O10(OH)2    0     0     1       2     0       0     2       
%
% x -> (2 xFeM12 + xFeM3)/(2 xFeM12 + xFeM3 + 2 xMgM12 + xMgM3)
% y -> xAlM3
% Q -> 3 (x - xFeM12)  - order variable 
% -------------------------------------------------
verbatim
 
  x(bi)            0.35
  y(bi)            0.25
  Q(bi)            0.25
% -------------------------------------------------
 
p(phl)     2 1    1  3  -1  x  -1  y  -2/3  Q
             2    0  1  1  x    0  1  1  y
 
p(annm)    1 1    0  2  -1/3  Q   1  x
 
p(obi)     2 1    0  1   1  Q
             2    0  1  -1  x    0  1  1  y
 
p(east)    1 1    0  1  1  y
% -------------------------------------------------
sf
W(phl,annm)               12           0         0
W(phl,obi)                 4           0         0
W(phl,east)               10           0         0
W(annm,obi)                8           0         0
W(annm,east)              15           0         0
W(obi,east)                7           0         0
 
% -------------------------------------------------
7
 
xMgM3      2 1    1  3  -1  x  -1  y  -2/3  Q
             2    0  1  1  x    0  1  1  y
 
xFeM3      2 1    0  2   1  x  2/3  Q
             2    0  1  -1  x    0  1  1  y
 
xAlM3      1 1    0  1  1  y
 
xMgM12     1 1    1  2  1/3  Q  -1  x
 
xFeM12     1 1    0  2  -1/3  Q   1  x
 
xSiT       1 1    1/2  1  -1/2  y
 
xAlT       1 1    1/2  1  1/2  y
% -------------------------------------------------
 
phl     4    4  xMgM3 1  xMgM12 2  xSiT 1  xAlT 1  
  check 0  0  0  
 
annm    4    4  xFeM3 1  xFeM12 2  xSiT 1  xAlT 1  
  check 1  0  0  
  make  1      ann    1
  delG(mod)          -3              0           0
 
obi     4    4  xFeM3 1  xMgM12 2  xSiT 1  xAlT 1  
  check 1/3  0  1  
  make  2      ann  1/3  phl  2/3
  delG(od)           -3              0           0
 
east    1    3  xAlM3 1  xMgM12 2  xAlT 2  
  check 0  1  0  
% ====================================================================


opx  4  1

verbatim
% ====================================================================
% orthopyroxene: FMAS
%
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
% 
% coded by axe attack on 05 July 2013
% 
% E-m   Formula                  Mixing sites
%                   M1                  M2            T*            
%                   Mg    Fe    Al      Mg    Fe      Al    Si      
% en    Mg2Si2O6    1     0     0       1     0       0     2       
% fs    Fe2Si2O6    0     1     0       0     1       0     2       
% fm    MgFeSi2O6   1     0     0       0     1       0     2   - ordered intermediate     
% mgts  MgAl2SiO6   0     0     1       1     0       1     1 
% *use 1/4 entropy of mixing from T-site       
%
% x -> (xFeM1 + xFeM2)/(xFeM1 + xFeM2 + xMgM1 + xMgM2)
% y -> xAlM1
% Q -> 2 xFeM2/(xFeM2 + xMgM2) - 2 x        - order variable
% -------------------------------------------------
verbatim
 
  x(opx)           0.3
  y(opx)           0.1
  Q(opx)           0.4
% -------------------------------------------------
 
p(en)      1 1    1  3  -1/2  Q  -1  x  -1  y
 
p(fs)      2 1    0  2  -1/2  Q   1  x
             2    0  1  -1  x    0  1  1  y
 
p(fm)      2 1    0  1   1  Q
             2    0  1  1  x    0  1  1  y
 
p(mgts)    1 1    0  1  1  y
% -------------------------------------------------
sf
W(en,fs)                   7           0         0
W(en,fm)                   4           0         0
W(en,mgts)                13           0     -0.15
W(fs,fm)                   4           0         0
W(fs,mgts)                13           0     -0.15
W(fm,mgts)                17           0     -0.15
 
% -------------------------------------------------
7
 
xMgM1      2 1    1  3  1/2  Q  -1  x  -1  y
             2    0  1  1  x    0  1  1  y
 
xFeM1      2 1    0  2  -1/2  Q   1  x
             2    0  1  -1  x    0  1  1  y
 
xAlM1      1 1    0  1  1  y
 
xMgM2      1 1    1  2  -1/2  Q  -1  x
 
xFeM2      1 1    0  2  1/2  Q   1  x
 
xAlT       1 1    0  1  1/2  y
 
xSiT       1 1    1  1  -1/2  y
% -------------------------------------------------
 
en      1    3  xMgM1 1  xMgM2 1  xSiT 1/2  
  check 0  0  0  
 
fs      1    3  xFeM1 1  xFeM2 1  xSiT 1/2  
  check 1  0  0  
 
fm      1    3  xMgM1 1  xFeM2 1  xSiT 1/2  
  check 1/2  0  1  
  make  2       en  1/2   fs  1/2
  delG(od)        -6.6              0           0
 
mgts    1.41421 4  xAlM1 1  xMgM2 1  xAlT 1/4  xSiT 1/4  
  check 0  1  0  
% =================================================================


sa  4  1

verbatim
% =================================================================
% sapphirine: FMAS
% 
% Wheller, CJ & Powell, R (2014). A new thermodynamic model for
% sapphirine: calculated phase equilibria in K2O-FeO-MgO-Al2O3-
% SiO2-H2O-TiO2-Fe2O3. Journal of Metamorphic Geology, 32, 287-299.
%
% coded by axe attack on 05 July 2013
% 
% E-m   Formula                       Mixing sites
%                       M3                  M456          T             
%                       Mg    Fe    Al      Mg    Fe      Si    Al      
% spr4  Mg4Al8Si2O20    1     0     0       3     0       1     0       
% spr5  Mg3Al10SiO20    0     0     1       3     0       0     1       
% fspm  Fe4Al8Si2O20    0     1     0       0     3       1     0    - ordered intermediate   
% spro  Fe3MgAl8Si2O20  1     0     0       0     3       1     0       
%
% x -> (xFeM3 + 3 xFeM456)/(xFeM3 + 3 xFeM456 + xMgM3 + 3 xMgM456)
% y -> xAlM3
% Q -> 4 (-x + xFeM456)      - order variable
% -------------------------------------------------
verbatim
  
  x(sa)            0.1
  y(sa)            0.3
  Q(sa)            0.05 range -1 1
% -------------------------------------------------
 
p(spr4)    1 1    1  3  -1/4  Q  -1  x  -1  y
 
p(spr5)    1 1    0  1  1  y
 
p(fspm)    2 1    0  2   1  x  -3/4  Q
             2    0  1  -1  x    0  1  1  y
 
p(spro)    2 1    0  1   1  Q
             2    0  1  1  x    0  1  1  y
% -------------------------------------------------
sf
W(spr4,spr5)              10           0     -0.02
W(spr4,fspm)              16           0         0
W(spr4,spro)              12           0         0
W(spr5,fspm)              19           0     -0.02
W(spr5,spro)              22           0     -0.02
W(fspm,spro)               4           0         0
 
% -------------------------------------------------
7
 
xMgM3      2 1    1  3  -1  x  -1  y  3/4  Q
             2    0  1  1  x    0  1  1  y
 
xFeM3      2 1    0  2   1  x  -3/4  Q
             2    0  1  -1  x    0  1  1  y
 
xAlM3      1 1    0  1  1  y
 
xMgM456    1 1    1  2  -1/4  Q  -1  x
 
xFeM456    1 1    0  2  1/4  Q   1  x
 
xSiT       1 1    1  1  -1  y
 
xAlT       1 1    0  1  1  y
% -------------------------------------------------
 
spr4    1    3  xMgM3 1  xMgM456 3  xSiT 1  
  check 0  0  0  
 
spr5    1    3  xAlM3 1  xMgM456 3  xAlT 1  
  check 0  1  0  
 
fspm    1    3  xFeM3 1  xFeM456 3  xSiT 1  
  check 1  0  0  
  make  1     fspr    1
  delG(mod)         -2              0           0
 
spro    1    3  xMgM3 1  xFeM456 3  xSiT 1  
  check 3/4  0  1  
  make  2     fspr  3/4 spr4  1/4
  delG(od)          -3.5              0           0
% =================================================================


cd  3  1

verbatim
% =================================================================
% cordierite: FMASH
%
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
% 
%
% coded by axe attack on 14 August 2013
% 
% E-m   Formula                      Mixing sites
%                          X             H             
%                          Fe    Mg      H2O   v       
% crd   Mg2Al4Si5O18       0     2       0     1       
% fcrd  Fe2Al4Si5O18       2     0       0     1       
% hcrd  Mg2Al4Si5O17(OH)2  0     2       1     0       
%
% x -> xFeX/(xFeX + xMgX) 
% h -> xH2OH
% -------------------------------------------------
verbatim
 
  x(cd)            0.3
  h(cd)            0.7
% -------------------------------------------------
 
p(crd)     1 1    1  2  -1  h  -1  x
 
p(fcrd)    1 1    0  1  1  x
 
p(hcrd)    1 1    0  1  1  h
% -------------------------------------------------
sf
W(crd,fcrd)                8           0         0
W(crd,hcrd)                0           0         0
W(fcrd,hcrd)               9           0         0
 
% -------------------------------------------------
4
 
xFeX       1 1    0  1  1  x
 
xMgX       1 1    1  1  -1  x
 
xH2OH      1 1    0  1  1  h
 
xvH        1 1    1  1  -1  h
% -------------------------------------------------
 
crd     1    2  xMgX 2  xvH 1  
  check 0  0  
 
fcrd    1    2  xFeX 2  xvH 1  
  check 1  0  
 
hcrd    1    2  xMgX 2  xH2OH 1  
  check 0  1  
% =================================================================


st  2  1

verbatim
% =================================================================
% staurolite: FMASH
%
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
% 
% coded by axe attack on 05 July 2013
% 
% E-m   Formula                Mixing site
%                                X             
%                                Mg    Fe      
% mstm  Mg4Al18Si7.5O44(OH)4     4     0       
% fst   Fe4Al18Si7.5O44(OH)4     0     4       
%
% x -> xFeX/(xFeX + xMgX)
% -------------------------------------------------
verbatim
 
  x(st)            0.88
% -------------------------------------------------
 
p(mstm)    1 1    1  1  -1  x
p(fst)     1 1    0  1  1  x
% -------------------------------------------------
sf
W(mstm,fst)          16           0         0
 
% -------------------------------------------------
2
 
xMgX       1 1    1  1  -1  x
xFeX       1 1    0  1  1  x
% -------------------------------------------------
 
mstm    1    1  xMgX 4  
  check 0  
  make  1      mst    1
  DQF             -8              0           0
 
fst     1    1  xFeX 4  
  check 1  
% =================================================================


chl  6  1

verbatim
% =================================================================
% chlorite: FMASH
% 
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
%
% coded by axe attack on 05 July 2013
% 
% E-m    Formula                                Mixing sites
%         M1                  M23           M4                  T2            
%         Mg    Fe    Al      Mg    Fe      Mg    Fe    Al      Si    Al      
% clin    1     0     0       4     0       0     0     1       1     1       
% afchl   1     0     0       4     0       1     0     0       2     0       
% ames    0     0     1       4     0       0     0     1       0     2       
% daph    0     1     0       0     4       0     0     1       1     1       
% ochl1   1     0     0       0     4       0     1     0       2     0    - ordered intermediate       
% ochl4   0     1     0       4     0       1     0     0       2     0    - ordered intermediate       
%
% x -> (xFeM1 + 4 xFeM23 + xFeM4)/(xFeM1 + 4 xFeM23 + xFeM4 + xMgM1 + 4 xMgM23 + xMgM4) 
% y -> (xAlM1 + xAlM4)/2 
% QAl -> (xAlM4 - xAlM1)/2                 - order variable
% Q1 -> x - xFeM1/(xFeM1 + xMgM1)          - order variable
% Q4 -> x - xFeM4/(xFeM4 + xMgM4)          - order variable
% -------------------------------------------------
verbatim
 
  x(chl)           0.3
  y(chl)           0.55
  QAl(chl)         0.42 range -1 1
  Q1(chl)          -0.18 range -1 1
  Q4(chl)          -0.26 range -1 1
% -------------------------------------------------
 
p(clin)    7 1    0  3  -1/4  Q1  2  QAl  -5/4  Q4
             2    0  1  -1/4  Q1    0  1  1  QAl
             2    0  1  5/4  Q4    0  1  1  QAl
             2    0  1  -1  QAl    0  1  1  x
             2    0  1  1/4  Q1    0  1  1  y
             2    0  1  5/4  Q4    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
p(afchl)   7 1    1  5  -1  QAl  -1  y  -2  x  5/4  Q1  9/4  Q4
             2    0  1  5/4  Q1    0  1  1  QAl
             2    0  1  -9/4  Q4    0  1  1  QAl
             2    0  1  1  QAl    0  1  1  x
             2    0  1  -5/4  Q1    0  1  1  y
             2    0  1  -9/4  Q4    0  1  1  y
             2    0  1  3  x    0  1  1  y
 
p(ames)    1 1    0  2  -1  QAl   1  y
 
p(daph)    7 1    0  2  1/4  Q1  5/4  Q4
             2    0  1  1/4  Q1    0  1  1  QAl
             2    0  1  -5/4  Q4    0  1  1  QAl
             2    0  1  1  QAl    0  1  1  x
             2    0  1  -1/4  Q1    0  1  1  y
             2    0  1  -5/4  Q4    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
p(ochl1)   5 1    0  2  -1  Q4   1  x
             2    0  1  1  Q4    0  1  1  QAl
             2    0  1  -1  QAl    0  1  1  x
             2    0  1  1  Q4    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
p(ochl4)   6 1    0  3   1  x  -5/4  Q1  -5/4  Q4
             2    0  1  -5/4  Q1    0  1  1  QAl
             2    0  1  5/4  Q4    0  1  1  QAl
             2    0  1  5/4  Q1    0  1  1  y
             2    0  1  5/4  Q4    0  1  1  y
             2    0  1  -2  x    0  1  1  y
% -------------------------------------------------
sf
W(clin,afchl)             17           0         0
W(clin,ames)              17           0         0
W(clin,daph)              20           0         0
W(clin,ochl1)             30           0         0
W(clin,ochl4)             21           0         0
W(afchl,ames)             16           0         0
W(afchl,daph)             37           0         0
W(afchl,ochl1)            20           0         0
W(afchl,ochl4)             4           0         0
W(ames,daph)              30           0         0
W(ames,ochl1)             29           0         0
W(ames,ochl4)             13           0         0
W(daph,ochl1)             18           0         0
W(daph,ochl4)             33           0         0
W(ochl1,ochl4)            24           0         0
 
% -------------------------------------------------
10
 
xMgM1      5 1    1  4   1  Q1   1  QAl  -1  x  -1  y
             2    0  1  1  Q1    0  1  1  QAl
             2    0  1  -1  QAl    0  1  1  x
             2    0  1  -1  Q1    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
xFeM1      5 1    0  2  -1  Q1   1  x
             2    0  1  -1  Q1    0  1  1  QAl
             2    0  1  1  QAl    0  1  1  x
             2    0  1  1  Q1    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
xAlM1      1 1    0  2  -1  QAl   1  y
 
xMgM23     5 1    1  3  -1/4  Q1  -1/4  Q4  -1  x
             2    0  1  -1/4  Q1    0  1  1  QAl
             2    0  1  1/4  Q4    0  1  1  QAl
             2    0  1  1/4  Q1    0  1  1  y
             2    0  1  1/4  Q4    0  1  1  y
 
xFeM23     5 1    0  3  1/4  Q1  1/4  Q4   1  x
             2    0  1  1/4  Q1    0  1  1  QAl
             2    0  1  -1/4  Q4    0  1  1  QAl
             2    0  1  -1/4  Q1    0  1  1  y
             2    0  1  -1/4  Q4    0  1  1  y
 
xMgM4      5 1    1  4   1  Q4  -1  QAl  -1  x  -1  y
             2    0  1  -1  Q4    0  1  1  QAl
             2    0  1  1  QAl    0  1  1  x
             2    0  1  -1  Q4    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
xFeM4      5 1    0  2  -1  Q4   1  x
             2    0  1  1  Q4    0  1  1  QAl
             2    0  1  -1  QAl    0  1  1  x
             2    0  1  1  Q4    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
xAlM4      1 1    0  2   1  QAl   1  y
 
xSiT2      1 1    1  1  -1  y
 
xAlT2      1 1    0  1  1  y
% -------------------------------------------------
 
clin    4    5  xMgM1 1  xMgM23 4  xAlM4 1  xSiT2 1  xAlT2 1  
  check 0  1/2  1/2  0  0  
 
afchl   1    4  xMgM1 1  xMgM23 4  xMgM4 1  xSiT2 2  
  check 0  0  0  0  0  
 
ames    1    4  xAlM1 1  xMgM23 4  xAlM4 1  xAlT2 2  
  check 0  1  0  0  0  
 
daph    4    5  xFeM1 1  xFeM23 4  xAlM4 1  xSiT2 1  xAlT2 1  
  check 1  1/2  1/2  0  0  
 
ochl1   1    4  xMgM1 1  xFeM23 4  xFeM4 1  xSiT2 2  
  check 5/6  0  0  5/6  -1/6  
  make  3     afchl  1 clin   -1  daph  1
  delG(od)         3              0           0
 
ochl4   1    4  xFeM1 1  xMgM23 4  xMgM4 1  xSiT2 2  
  check 1/6  0  0  -5/6  1/6  
  make  3     afchl  1 clin -1/5 daph  1/5
  delG(od)          2.4              0           0
% =================================================================


ctd  2  1

verbatim
% =================================================================
% chloritoid: FMASH
% 
% White, RW, Powell, R, Holland, TJB, Johnson, TE & 
% Green, ECR (2014). New mineral activity-composition relations
% for thermodynamic calculations in metapelitic systems.
% Journal of Metamorphic Geology, 32, 261-286.
%
% coded by axe attack on 05 July 2013
% 
% E-m   Formula        Mixing sites
%                         M1B           
%                         Fe    Mg      
% mctd  MgAl2SiO5(OH)2    0     1       
% fctd  FeAl2SiO5(OH)2    1     0       
%
% x -> xFeM1B/(xFeM1B + xMgM1B)
% -------------------------------------------------
verbatim
 
  x(ctd)           0.88
% -------------------------------------------------
 
p(mctd)    1 1    1  1  -1  x
 
p(fctd)    1 1    0  1  1  x
% -------------------------------------------------
sf
W(mctd,fctd)               4           0         0
 
% -------------------------------------------------
2
 
xFeM1B     1 1    0  1  1  x
 
xMgM1B     1 1    1  1  -1  x
% -------------------------------------------------
 
mctd    1    1  xMgM1B 1  
  check 0  
 
fctd    1    1  xFeM1B 1  
  check 1  
% =================================================================


sp1  2  1
 
verbatim
% =================================================================
% spinel (herc-mt-sp): FM
% 
% coded by axe attack on 05 July 2013
% 
% E-m   Formula   "Mixing site"
%                   A             
%                   Mg    Fe      
% herc  FeAl2O4     0     1       
% sp    MgAl2O4     1     0       
%
% x -> xFe2M/(xMgM + xFe2M)
% -------------------------------------------------
verbatim
 
  x(sp1)           0.9
% -------------------------------------------------
 
p(herc)    1 1    0  1  1  x
 
p(sp)      1 1    1  1  -1  x
% -------------------------------------------------
sf
W(herc,sp)                 0           0         0
 
% -------------------------------------------------
2
 
xMgA       1 1    1  1  -1  x
 
xFeA       1 1    0  1  1  x
% -------------------------------------------------
 
herc    1    1  xFeA 1  
  check 1  
 
sp      1    1  xMgA 1  
  check 0  
% =================================================================

ksp 1 san

sill and ky q H2O
*