% Formerly provided as tc-6axmn
% Here updated for tc347 by ecrg 29-11-19:
% explicit o-d in ksp, pl, crd (Mn-crd only), ilm/hem, mt1
% pl4tr, k4tr added 23-01-2022

% ---------------------------------------------------------------------
% ds6-savvy axfile 
%
% These are the models used in White et al. 2014. The effect of Mn on mineral 
% stability in metapelites revisited: new a-x relations for manganese-bearing minerals.
%
% they are based on the earlier white et al pelites paper JMG 32, 261-286
% ---------------------------------------------------------------------

% =================================================
% -------------------------------------------------
% g: CFMASO (with gr + kho allowing boiling down)
% garnet
% 
% coded by axe attack on 24 March 2011
% 
%         X                         Y             
%         Mg    Fe    Mn    Ca      Al    Fe3     
% py      3     0     0     0       2     0       
% alm     0     3     0     0       2     0       
% spss    0     0     3     0       2     0       
% gr      0     0     0     3       2     0       
% kho     3     0     0     0       0     2       
%
%         xFeX
% x -> -----------
%      xFeX + xMgX
%
% z -> xCaX
%
% m -> xMnX
%
% f -> xFe3Y
% -------------------------------------------------
 
g  5  1
 
  x(g)             0.9
  z(g)             0.1
  m(g)            0.06
  f(g)            0.01
% -------------------------------------------------
 
p(py)      3 1    1  4  -1  f  -1  m  -1  x  -1  z
             2    0  1  1  m    0  1  1  x
             2    0  1  1  x    0  1  1  z
 
p(alm)     3 1    0  1   1  x
             2    0  1  -1  m    0  1  1  x
             2    0  1  -1  x    0  1  1  z
 
p(spss)    1 1    0  1  1  m
 
p(gr)      1 1    0  1  1  z
 
p(kho)     1 1    0  1  1  f
% -------------------------------------------------
asf
W(py,alm)                2.5         0         0
W(py,spss)                 2         0         0
W(py,gr)                  31         0         0
W(py,kho)                5.4         0         0
W(alm,spss)                2         0         0
W(alm,gr)                  5         0         0
W(alm,kho)                22.6         0         0 
W(spss,gr)                 0         0         0
W(spss,kho)               29.4         0         0  
W(gr,kho)                -15.3         0         0  
 
a(py)                 1         0         0
a(alm)                1         0         0
a(spss)               1         0         0
a(gr)               2.7         0         0
a(kho)                1         0         0
% -------------------------------------------------
6
 
xMgX       3 1    1  3  -1  m  -1  x  -1  z
             2    0  1  1  m    0  1  1  x
             2    0  1  1  x    0  1  1  z
 
xFeX       3 1    0  1   1  x
             2    0  1  -1  m    0  1  1  x
             2    0  1  -1  x    0  1  1  z
 
xMnX       1 1    0  1  1  m
 
xCaX       1 1    0  1  1  z
 
xAlY       1 1    1  1  -1  f
 
xFe3Y      1 1    0  1  1  f
% -------------------------------------------------
 
py      1    2  xMgX 3  xAlY 2  
  check 0  0  0  0  
 
alm     1    2  xFeX 3  xAlY 2  
  check 1  0  0  0  
 
spss    1    2  xMnX 3  xAlY 2  
  check 0  0  1  0  
 
gr      1    2  xCaX 3  xAlY 2  
  check 0  1  0  0  
 
kho     1    2  xMgX 3  xFe3Y 2  
  check 0  0  0  1  
  make 3  py 1  gr -1  andr 1
  DQF  27   0   0   
  
% =================================================



% =================================================================
% ternary feldspar, “4TR” model, with plagioclase-friendly 
%         parameterisation.
%
% Holland, TJB, Green, ECR & Powell, R (2021). A thermodynamic model
% for feldspars in KAlSi3O8-NaAlSi3O8-CaAl2Si2O8 for mineral 
% equilibrium calculations. Journal of Metamorphic Geology, 1-14.
% Published online as DOI 10.1111/jmg.12639
% 
% E-m   Formula        Mixing sites
%                      A                   TB*            
%                      Na    Ca    K       Al    Si      
% ab    NaAlSi3O8      1     0     0       1     3       
% san   KAlSi3O8       0     0     1       1     3       
% an    CaAl2Si2O8     0     1     0       2     2     
% *use 1/4 entropy of mixing from TB-sites  
%
% ca -> xCaA
% k -> xKA
% -------------------------------------------------

pl4tr  3  1

    ca(pl4tr) 0.8
    k(pl4tr)  0.03
    
% --------------------------------------------------

   p(ab)   1 1    1 2 -1 k -1 ca
   p(an)   1 1    0 1  1 ca
   p(san)  1 1    0 1  1 k
   
% --------------------------------------------------
   asf
     W(ab,an)   14.6 -0.00935 -0.04
     W(ab,san)  24.1 -0.00957  0.338
     W(an,san)  48.5    0     -0.13
    
    ab   0.674    0  0
    an   0.550    0  0
    san  1.000    0  0
    
% --------------------------------------------------
5
   xNaA       1 1    1  2  -1  ca  -1  k
   xCaA       1 1    0  1  1  ca
   xKA        1 1    0  1  1  k
   xAlTB      1 1    1/4  1  1/4  ca
   xSiTB      1 1    3/4  1  -1/4  ca

% --------------------------------------------------

  ab      1.754765  3  xNaA 1  xAlTB 1/4  xSiTB 3/4 
 
  an      2         3  xCaA 1  xAlTB 1/2  xSiTB 1/2  

  san     1.754765  3  xKA  1  xAlTB 1/4  xSiTB 3/4  
% ==================================================================================



% =================================================================
% ternary feldspar, “4TR” model, with K-feldspar-friendly 
%         parameterisation.
%
% Holland, TJB, Green, ECR & Powell, R (2021). A thermodynamic model
% for feldspars in KAlSi3O8-NaAlSi3O8-CaAl2Si2O8 for mineral 
% equilibrium calculations. Journal of Metamorphic Geology, 1-14.
% Published online as DOI 10.1111/jmg.12639
% 
% E-m   Formula        Mixing sites
%                      A                   TB*            
%                      Na    Ca    K       Al    Si      
% ab    NaAlSi3O8      1     0     0       1     3       
% san   KAlSi3O8       0     0     1       1     3       
% an    CaAl2Si2O8     0     1     0       2     2     
% *use 1/4 entropy of mixing from TB-sites  
%
% na -> xNaA
% ca -> xCaA
% -------------------------------------------------

k4tr  3  1

    na(k4tr)  0.03
    ca(k4tr)  0.8
    
% --------------------------------------------------

   p(ab)   1 1    0 1  1 na
   p(an)   1 1    0 1  1 ca
   p(san)  1 1    1 2 -1 na -1 ca
   
% --------------------------------------------------
   asf
     W(ab,an)   14.6 -0.00935 -0.04
     W(ab,san)  24.1 -0.00957  0.338
     W(an,san)  48.5    0     -0.13
    
    ab   0.674    0  0
    an   0.550    0  0
    san  1.000    0  0
    
% --------------------------------------------------
5
   xNaA       1 1    0 1  1 na
   xCaA       1 1    0 1  1 ca
   xKA        1 1    1 2 -1 na -1 ca
   xAlTB      1 1    1/4  1  1/4  ca
   xSiTB      1 1    3/4  1  -1/4  ca

% --------------------------------------------------

  ab      1.754765  3  xNaA 1  xAlTB 1/4  xSiTB 3/4 
 
  an      2         3  xCaA 1  xAlTB 1/2  xSiTB 1/2  

  san     1.754765  3  xKA  1  xAlTB 1/4  xSiTB 3/4  
% =================================================================



% =======================================================
% ternary plag:   Cbar1 ASF

%  REPLACED BY PL4TR

plc 3  1
     
 ca(plc)        0.5562
 k(plc)       0.003681
    
% --------------------------------------------------

   p(abh)    1 1    1 2 -1 k -1 ca
   p(an)    1 1    0 1  1 ca
   p(san)   1 1    0 1  1 k
   
% --------------------------------------------------

   asf
     W(abh,an)   3.1   0     0
     W(abh,san)  25.1 -0.0108  0.338
     W(an,san)   40   0     0
     
    abh   0.643  0  0
    an   1.0    0  0
    san  1.0    0  0
    
% --------------------------------------------------

   3
   x(K)     1 1    0 1  1 k
   x(Na)    1 1    1 2 -1 k -1 ca
   x(Ca)    1 1    0 1  1 ca
% --------------------------------------------------

   abh      1 1     x(Na) 1
   an       1 1     x(Ca) 1
     make 1 an 1
     DQF  equilibrium  7.03  -0.00466   0
   san      1 1     x(K) 1

% =======================================================


% =================================================
liq 8  1

   q(L)          0.1814
   fsp(L)        0.3490
   na(L)         0.5840
   an(L)        0.01104
   ol(L)        0.01373
   x(L)          0.7333
   h2o(L)        0.4276

% --------------------------------------------------
  
   
   p(qL)    1 1      0  1  1  q
   
   p(abL)   1 2      0  1  1  fsp    0  1  1  na
   
   p(kspL)  1 2      0  1  1  fsp    1  1 -1  na
   
   p(anL)   1 1      0  1  1  an
   
   p(silL)  1 1      1  5 -1 q -1 fsp -1 an -1 ol -1 h2o
   
   p(foL)   1 2      0  1  1  ol   1  1 -1  x
   
   p(faL)   1 2      0  1  1  ol   0  1  1  x
      
   p(h2oL)  1 1      0  1  1  h2o  

% --------------------------------------------------
   sf

   W(qL,abL)        12  0  -0.4   
   W(qL,kspL)       -2  0  -0.5
   W(qL,anL)         5  0     0    
   W(qL,silL)       12  0     0    
   W(qL,foL)        12  0  -0.4 
   W(qL,faL)        14  0     0 
   W(qL,h2oL)       17  0  -0.5 
     
   W(abL,kspL)      -6  0   3.0
   W(abL,anL)        0  0     0      
   W(abL,silL)      12  0     0      
   W(abL,foL)       10  0     0      
   W(abL,faL)        2  0     0
   W(abL,h2oL)    -1.5  0  -0.3
   
   W(kspL,anL)       0  0  -1.0    
   W(kspL,silL)     12  0     0    
   W(kspL,foL)      12  0     0
   W(kspL,faL)      12  0     0
   W(kspL,h2oL)    9.5  0  -0.3
     
   W(anL,silL)       0  0     0       
   W(anL,foL)        0  0     0 
   W(anL,faL)        0  0     0 
   W(anL,h2oL)     7.5  0   -0.5 

   W(silL,foL)      12  0     0      
   W(silL,faL)      12  0     0      
   W(silL,h2oL)     11  0     0   
    
   W(foL,faL)       18  0     0
   W(foL,h2oL)      11  0  -0.5

   W(faL,h2oL)      12  0     0
   
% --------------------------------------------------
   10 
   
   fac   1 1      1  1 -1  h2o
   
   pq    1 1      0  1  1  q
   
   xab   1 2      0  1  1  fsp    0  1  1  na
   
   xksp  1 2      0  1  1  fsp    1  1 -1  na
   
   pan   1 1      0  1  1  an
   
   psil   1 1     1  5 -1 q -1 fsp -1 an -1 ol -1 h2o
   
   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  

% --------------------------------------------------
% ideal mixing activities
   
 qL     1  2      fac 1 pq 1    
      make  1  qL 4
      
 abL    1  2      fac 1 xab 1
 
 kspL   1  2      fac 1 xksp 1

 anL    1  2      fac 1 pan 1
 
 silL   1  2      fac 1  psil 1
    make   1  silL  8/5 
    DQF  -23 0 0    

 foL    1  3      fac 1  pol 1  xMg  5
    make  1  foL 2
    DQF  -10 0 0    
 
 faL    1  3      fac 1  pol 1  xFe  5
    make  1  faL 2
    DQF  -9 0 -1.3   

 h2oL   1  1      ph2o 2

% =======================================================
% ==================    epidote    ========================
ep 3  1
  f(ep)        0.1
  Q(ep)        0.2   range 0 0.5

p(cz)    1  1    1  2 -1  f  -1  Q
p(ep)    1  1    0  1  2  Q
p(fep)   1  1    0  2  1  f  -1  Q

sf
  W(cz,ep)         1  0  0
  W(cz,fep)        3  0  0
  W(ep,fep)        1  0  0

  4  

  xFeM1   1  1    0  2  1  f  -1  Q
  xAlM1   1  1    1  2 -1  f   1  Q
  xFeM3   1  1    0  2  1  f   1  Q
  xAlM3   1  1    1  2 -1  f  -1  Q

 cz      1  2      xAlM1  1  xAlM3   1
 ep      1  2      xAlM1  1  xFeM3   1
 fep     1  2      xFeM1  1  xFeM3   1

% =====================================================================

% =======================================================
% ternary ksp:    Cbar1 ASF

%  REPLACED BY K4TR

ksp   3  1

   na(ksp) 0.1
   ca(ksp) 0.004
% --------------------------------------------------
   p(san)   1 1    1 2 -1 na -1 ca
   p(abh)   1 1    0 1  1 na
   p(an)    1 1    0 1  1 ca
% --------------------------------------------------
   asf
   
     W(san,abh)  25.1 -0.0108  0.338
     W(san,an)   40    0     0
     W(abh,an)    3.1   0     0
     
      san  1.0    0  0
      abh   0.643  0  0
      an   1.0    0  0
      
% --------------------------------------------------
   3
   
   x(K)     1 1    1 2 -1 na -1 ca
   x(Na)    1 1    0 1  1 na
   x(Ca)    1 1    0 1  1 ca
   
% --------------------------------------------------

   san      1 1     x(K) 1
   abh      1 1     x(Na) 1
   an       1 1     x(Ca) 1
     make 1 an 1
     DQF  equilibrium   7.03  -0.00466   0
      




% ================================================= 
% new white mica coding (for mu, pa) from smye et al (2010)
% -------------------------------------------------
% margarite: CNKFMASHO
% 
%       A             M2A           M2B       T1        
%       K   Na  Ca    Mg  Fe  Al    Al  Fe3   Si  Al    
% mu    1   0   0     0   0   1     1   0     1   1     
% cel   1   0   0     1   0   0     1   0     2   0     
% fcel  1   0   0     0   1   0     1   0     2   0     
% pa    0   1   0     0   0   1     1   0     1   1     
% ma    0   0   1     0   0   1     1   0     0   2     
% fmu   1   0   0     0   0   1     0   1     1   1     
%
%          xFeM2A
% x -> ---------------
%      xFeM2A + xMgM2A
%
% y -> xAlM2A
%
% f -> xFe3M2B
%
% n -> xNaA
%
% c -> xCaA
% -------------------------------------------------
 
ma  6  1
 
  x(ma)   0.6  %0.6
  y(ma)   0.96
  f(ma)   0.001
  n(ma)   0.05
  c(ma)   0.94
% -------------------------------------------------
 
p(mu)      1 1    0  4  -1  c  -1  f  -1  n   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
p(pa)      1 1    0  1  1  n
p(ma)      1 1    0  1  1  c
p(fmu)     1 1    0  1  1  f
% -------------------------------------------------
asf
	W(mu,cel)        0.00 0.0000  0.200
	W(mu,fcel)       0.00 0.0000  0.200
	W(mu,pa)        10.12 0.0034  0.353
	W(mu,ma)        34  0  0                 
	W(mu,fmu)        0  0  0
	W(cel,fcel)      0  0  0
	W(cel,pa)       45  0  0.25
	W(cel,ma)       50  0  0    
	W(cel,fmu)       0  0  0
	W(fcel,pa)      45  0  0.25
	W(fcel,ma)      50  0  0      
	W(fcel,fmu)      0  0  0
	W(pa,ma)        18  0  0    
	W(pa,fmu)       30  0  0 
	W(ma,fmu)       35  0  0
	
	mu            0.63 0.0 0.0
	cel           0.63 0.0 0.0
	fcel          0.63 0.0 0.0
	pa            0.37 0.0 0.0
	ma            0.63 0.0 0.0
	fmu           0.63 0.0 0.0
% -------------------------------------------------
10
xKA        1 1    1  2  -1  c  -1  n
xNaA       1 1    0  1  1  n
xCaA       1 1    0  1  1  c
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
xAlM2B     1 1    1  1  -1  f
xFe3M2B    1 1    0  1  1  f
xSiT1      1 1    1  2  -1/2  c  -1/2  y
xAlT1      1 1    0  2  1/2  c  1/2  y
% -------------------------------------------------
 
mu      4    5  xKA 1  xAlM2A 1  xAlM2B 1  xSiT1 1  xAlT1 1  
  check 0  1  0  0  0
    make 1 mu 1
  DQF   1.0  0  0  
  
cel     1    4  xKA 1  xMgM2A 1  xAlM2B 1  xSiT1 2  
  check 0  0  0  0  0 
      make 1 cel 1
  DQF   5  0  0   
  
fcel    1    4  xKA 1  xFeM2A 1  xAlM2B 1  xSiT1 2  
  check 1  0  0  0  0 
      make 1 fcel 1
  DQF   5  0  0  
   
pa      4    5  xNaA 1  xAlM2A 1  xAlM2B 1  xSiT1 1  xAlT1 1  
  check 0  1  0  1  0 
      make 1 pa 1
  DQF   4  0  0   
  
ma      1    4  xCaA 1  xAlM2A 1  xAlM2B 1  xAlT1 2  
  check 0  1  0  0  1  
  
  
fmu     4    5  xKA 1  xAlM2A 1  xFe3M2B 1  xSiT1 1  xAlT1 1  
  check 0  1  1  0  0  
  make  3   mu 1  gr -1/2  andr 1/2
  DQF   25  0  0   


% =================================================


% =================================================
% -------------------------------------------------
% bi: KFMASHO
% biotite 
% 
% coded by axe attack on 05 March 2011
% 
%         M3                                    M12                 T             V             
%         Mg    Mn    Fe    Fe3   Ti    Al      Mg    Mn    Fe      Si    Al      OH    O       
% phl     1     0     0     0     0     0       2     0     0       1     1       2     0       
% ann     0     0     1     0     0     0       0     0     2       1     1       2     0       
% obi     0     0     1     0     0     0       2     0     0       1     1       2     0       
% east    0     0     0     0     0     1       2     0     0       0     2       2     0       
% tbi     0     0     0     0     1     0       2     0     0       1     1       0     2       
% fbi     0     0     0     1     0     0       2     0     0       0     2       2     0       
% mnbi    0     1     0     0     0     0       0     2     0       1     1       2     0       
%
%               2 xFeM12 + xFeM3
% x -> -----------------------------------
%      2 xFeM12 + xFeM3 + 2 xMgM12 + xMgM3
%
% m -> xMnM12
%
% m -> xMnM3
%
% y -> xAlM3
%
% f -> xFe3M3
%
% t -> xTiM3
%
% Q -> 3 (x - xFeM12)
% -------------------------------------------------

bi  7  1
 
  x(bi)            0.35 
  m(bi)            0.03
  y(bi)            0.25
  f(bi)            0.04
  t(bi)            0.17
  Q(bi)            0.25
% -------------------------------------------------
 
p(phl)     5 1    1  6  -1  f  -1  m  -1  t  -1  x  -1  y  -2/3  Q
             2    0  1  1  f    0  1  1  x
             2    0  1  3  m    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  1  x    0  1  1  y
 
p(ann)     1 1    0  2  -1/3  Q   1  x
 
p(obi)     5 1    0  1   1  Q
             2    0  1  -1  f    0  1  1  x
             2    0  1  -3  m    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  -1  x    0  1  1  y
 
p(east)    1 1    0  1  1  y
 
p(tbi)     1 1    0  1  1  t
 
p(fbi)     1 1    0  1  1  f
 
p(mnbi)      1 1    0  1  1  m

% -------------------------------------------------

sf
W(phl,ann)                12         0         0
W(phl,obi)                 4         0         0
W(phl,east)               10         0         0
W(phl,tbi)                30         0         0
W(phl,fbi)                 8         0         0
W(phl,mnbi)                9         0         0
W(ann,obi)                 8         0         0
W(ann,east)               15         0         0
W(ann,tbi)                32         0         0
W(ann,fbi)              13.6         0         0
W(ann,mnbi)              6.3         0         0
W(obi,east)                7         0         0
W(obi,tbi)                24         0         0
W(obi,fbi)               5.6         0         0
W(obi,mnbi)              8.1         0         0
W(east,tbi)               40         0         0
W(east,fbi)                1         0         0
W(east,mnbi)              13         0         0
W(tbi,fbi)                40         0         0
W(tbi,mnbi)               30         0         0
W(fbi,mnbi)             11.6         0         0
 
% -------------------------------------------------
13
 
xMgM3      5 1    1  6  -1  f  -1  m  -1  t  -1  x  -1  y  -2/3  Q
             2    0  1  1  f    0  1  1  x
             2    0  1  3  m    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  1  x    0  1  1  y
 
xMnM3      1 1    0  1  1  m
 
xFeM3      5 1    0  2   1  x  2/3  Q
             2    0  1  -1  f    0  1  1  x
             2    0  1  -3  m    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  -1  x    0  1  1  y
 
xFe3M3     1 1    0  1  1  f
 
xTiM3      1 1    0  1  1  t
 
xAlM3      1 1    0  1  1  y
 
xMgM12     1 1    1  3  1/3  Q  -1  m  -1  x
 
xMnM12     1 1    0  1  1  m
 
xFeM12     1 1    0  2  -1/3  Q   1  x
 
xSiT       1 1    1/2  2  -1/2  f  -1/2  y
 
xAlT       1 1    1/2  2  1/2  f  1/2  y
 
xOHV       1 1    1  1  -1  t
 
xOV        1 1    0  1  1  t
% -------------------------------------------------
 
phl     4    5  xMgM3 1  xMgM12 2  xSiT 1  xAlT 1  xOHV 2  
  check 0  0  0  0  0  0  
 
ann     4    5  xFeM3 1  xFeM12 2  xSiT 1  xAlT 1  xOHV 2  
  check 1  0  0  0  0  0 
  make 1 ann 1
  DQF -3  0  0  
 
obi     4    5  xFeM3 1  xMgM12 2  xSiT 1  xAlT 1  xOHV 2  
  check 1/3  0  0  0  0  1  
  make  2      ann  1/3  phl  2/3
  DQF  -3  0  0     
 
east    1    4  xAlM3 1  xMgM12 2  xAlT 2  xOHV 2  
  check 0  0  1  0  0  0  
 
tbi     4    5  xTiM3 1  xMgM12 2  xSiT 1  xAlT 1  xOV 2  
  check 0  0  0  0  1  0  
  make 3 phl 1 br -1 ru 1
  DQF   55  0  0     
        
fbi     1    4  xFe3M3 1  xMgM12 2  xAlT 2  xOHV 2  
  check 0  0  0  1  0  0  
  make 3 east 1  gr -1/2 andr 1/2         
  DQF   -3  0  0       
               
mnbi      4    5  xMnM3 1  xMnM12 2  xSiT 1  xAlT 1  xOHV 2  
  check 0  1  0  0  0  0  
  make 1 mnbi 1
  DQF   -7.89  0  0
  
% =================================================


% =================================================
% -------------------------------------------------
% opx: CFMASO
% 
% coded by axe attack on 07 March 2011 (W from 15-4-11)
% 
%         M1                              M2                        T             
%         Mg    Fe    Mn    Fe3   Al      Mg    Fe    Mn    Ca      Si    Al      
% en      1     0     0     0     0       1     0     0     0       2     0       
% fs      0     1     0     0     0       0     1     0     0       2     0       
% fm      1     0     0     0     0       0     1     0     0       2     0       
% mgts    0     0     0     0     1       1     0     0     0       1     1       
% fopx    0     0     0     1     0       1     0     0     0       1     1       
% mnopx   0     0     1     0     0       0     0     1     0       2     0       
% odi     1     0     0     0     0       0     0     0     1       2     0       
%
%              xFeM1 + xFeM2
% x -> -----------------------------
%      xFeM1 + xFeM2 + xMgM1 + xMgM2
%
% m -> xMnM1
%
% y -> xAlM1
%
% f -> xFe3M1
%
% c -> xCaM2
%
%                  xFeM2
% Q -> 2 (-x + -------------)
%              xFeM2 + xMgM2
% -------------------------------------------------
 
opx  7  1
 
  x(opx)           0.3
  m(opx)           0.02
  y(opx)           0.1
  f(opx)           0.03
  c(opx)           0.05
  Q(opx)           0.4
% -------------------------------------------------
 
p(en)      5 1    1  6  -1/2  Q  -1  c  -1  f  -1  m  -1  x  -1  y
             2    0  1  1/2  c    0  1  1  Q
             2    0  1  1/2  m    0  1  1  Q
             2    0  1  1  c    0  1  1  x
             2    0  1  1  m    0  1  1  x
 
p(fs)      6 1    0  2  -1/2  Q   1  x
             2    0  1  1/2  c    0  1  1  Q
             2    0  1  1/2  m    0  1  1  Q
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  m    0  1  1  x
             2    0  1  -1  x    0  1  1  y
 
p(fm)      6 1    0  1   1  Q
             2    0  1  -1  c    0  1  1  Q
             2    0  1  -1  m    0  1  1  Q
             2    0  1  -1  c    0  1  1  x
             2    0  1  1  f    0  1  1  x
             2    0  1  1  x    0  1  1  y
 
p(mgts)    1 1    0  1  1  y
 
p(fopx)    1 1    0  1  1  f
 
p(mnopx)   1 1    0  1  1  m
 
p(odi)     1 1    0  1  1  c
% -------------------------------------------------
asf
W(en,fs)                   7         0         0
W(en,fm)                   4         0         0
W(en,mgts)                13         0     -0.15
W(en,fopx)                11         0     -0.15
W(en,mnopx)                5         0         0
W(en,odi)               32.2         0      0.12
W(fs,fm)                   4         0         0
W(fs,mgts)                13         0     -0.15  
W(fs,fopx)              11.6         0     -0.15
W(fs,mnopx)              4.2         0         0
W(fs,odi)              25.54         0     0.084  
W(fm,mgts)                17         0     -0.15 
W(fm,fopx)                15         0     -0.15
W(fm,mnopx)              5.1         0         0
W(fm,odi)              22.54         0     0.084
W(mgts,fopx)               1         0         0
W(mgts,mnopx)             12         0     -0.15
W(mgts,odi)             75.4         0     -0.94
W(fopx,mnopx)           10.6         0     -0.15
W(fopx,odi)             73.4         0     -0.94
W(mnopx,odi)           24.54         0     0.084

a(en)                 1         0         0
a(fs)                 1         0         0
a(fm)                 1         0         0
a(mgts)               1         0         0
a(fopx)               1         0         0
a(mnopx)              1         0         0
a(odi)              1.2         0         0

% -------------------------------------------------
11
 
xMgM1      6 1    1  5  1/2  Q  -1  f  -1  m  -1  x  -1  y
             2    0  1  -1/2  c    0  1  1  Q
             2    0  1  -1/2  m    0  1  1  Q
             2    0  1  1  f    0  1  1  x
             2    0  1  1  m    0  1  1  x
             2    0  1  1  x    0  1  1  y
 
xFeM1      6 1    0  2  -1/2  Q   1  x
             2    0  1  1/2  c    0  1  1  Q
             2    0  1  1/2  m    0  1  1  Q
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  m    0  1  1  x
             2    0  1  -1  x    0  1  1  y
 
xMnM1      1 1    0  1  1  m
 
xFe3M1     1 1    0  1  1  f
 
xAlM1      1 1    0  1  1  y
 
xMgM2      5 1    1  4  -1/2  Q  -1  c  -1  m  -1  x
             2    0  1  1/2  c    0  1  1  Q
             2    0  1  1/2  m    0  1  1  Q
             2    0  1  1  c    0  1  1  x
             2    0  1  1  m    0  1  1  x
 
xFeM2      5 1    0  2  1/2  Q   1  x
             2    0  1  -1/2  c    0  1  1  Q
             2    0  1  -1/2  m    0  1  1  Q
             2    0  1  -1  c    0  1  1  x
             2    0  1  -1  m    0  1  1  x
 
xMnM2      1 1    0  1  1  m
 
xCaM2      1 1    0  1  1  c
 
xSiT       1 1    1  2  -1/2  f  -1/2  y
 
xAlT       1 1    0  2  1/2  f  1/2  y
% -------------------------------------------------
 
en      1    3  xMgM1 1  xMgM2 1  xSiT 1/2  
  check 0  0  0  0  0  0  
 
fs      1    3  xFeM1 1  xFeM2 1  xSiT 1/2  
  check 1  0  0  0  0  0  
 
fm      1    3  xMgM1 1  xFeM2 1  xSiT 1/2  
  check 1/2  0  0  0  0  1  
  make  2       en  1/2   fs  1/2
  DQF    -6.6  0  0     
 
mgts    1.41421 4  xAlM1 1  xMgM2 1  xSiT 1/4  xAlT 1/4  
  check 0  0  1  0  0  0  
 
fopx    1.41421 4  xFe3M1 1  xMgM2 1  xSiT 1/4  xAlT 1/4  
  check 0  0  0  1  0  0  
  make 3  mgts 1   gr -1/2  andr 1/2 
  DQF   2  0  0      
 
mnopx   1    3  xMnM1 1  xMnM2 1  xSiT 1/2  
  check 0  1  0  0  0  0  
  make 1 pxmn 2
  DQF  6.68  0  0                             
 
odi     1    3  xMgM1 1  xCaM2 1  xSiT 1/2  % ortho-diopside
  check 0  0  0  0  1  0  
  make 1 di 1
  DQF -0.1  0.000211  0.005                
% =================================================








% =================================================
% -------------------------------------------------
% cd: MnFMAS
% cordierite
% 
% coded by axe attack on 11 October 2011
% 
%         X                   H             
%         Fe    Mg    Mn      H2O   v       
% crd     0     2     0       0     1       
% fcrd    2     0     0       0     1       
% hcrd    0     2     0       1     0       
% mncrd   0     0     2       0     1       
%
%         xFeX
% x -> -----------
%      xFeX + xMgX
%
% m -> xMnX
%
% h -> xH2OH
% -------------------------------------------------
 
cd  4  1
 
  x(cd)            0.3
  m(cd)            0.02
  h(cd)            0.7
% -------------------------------------------------
 
p(crd)      2 1    1  3  -1  h  -1  m  -1  x
              2    0  1  1  m    0  1  1  x
 
p(fcrd)     2 1    0  1   1  x
              2    0  1  -1  m    0  1  1  x
 
p(hcrd)     1 1    0  1  1  h
 
p(mncrd)    1 1    0  1  1  m
% -------------------------------------------------
sf
W(crd,fcrd)                 8         0         0
W(crd,hcrd)                 0         0         0
W(crd,mncrd)                6         0         0
W(fcrd,hcrd)                9         0         0
W(fcrd,mncrd)               4         0         0
W(hcrd,mncrd)               6         0         0
 
% -------------------------------------------------
5
 
xFeX       2 1    0  1   1  x
             2    0  1  -1  m    0  1  1  x
 
xMgX       2 1    1  2  -1  m  -1  x
             2    0  1  1  m    0  1  1  x
 
xMnX       1 1    0  1  1  m
 
xH2OH      1 1    0  1  1  h
 
xvH        1 1    1  1  -1  h
% -------------------------------------------------
 
crd     1    2  xMgX 2  xvH 1  
  check 0  0  0  
 
fcrd    1    2  xFeX 2  xvH 1  
  check 1  0  0  
 
hcrd    1    2  xMgX 2  xH2OH 1  
  check 0  0  1  
 
mncrd   1    2  xMnX 2  xvH 1  
  check 0  1  0 
  make 1 mncrd 1
  DQF  equilibrium -4.21  0  0
   
% =================================================

% ================================================= 
% new white mica coding (for mu, pa) from smye et al (2010)
% -------------------------------------------------
% muscovite: CNKFMASHO
% 
%       A             M2A           M2B       T1        
%       K   Na  Ca    Mg  Fe  Al    Al  Fe3   Si  Al    
% mu    1   0   0     0   0   1     1   0     1   1     
% cel   1   0   0     1   0   0     1   0     2   0     
% fcel  1   0   0     0   1   0     1   0     2   0     
% pa    0   1   0     0   0   1     1   0     1   1     
% ma    0   0   1     0   0   1     1   0     0   2     
% fmu   1   0   0     0   0   1     0   1     1   1     
%
%          xFeM2A
% x -> ---------------
%      xFeM2A + xMgM2A
%
% y -> xAlM2A
%
% f -> xFe3M2B
%
% n -> xNaA
%
% c -> xCaA
% -------------------------------------------------
 
mu  6  1
 
  x(mu)   0.25
  y(mu)   0.60
  f(mu)   0.17
  n(mu)   0.02
  c(mu)   0.004
% -------------------------------------------------
 
p(mu)      1 1    0  4  -1  c  -1  f  -1  n   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
p(pa)      1 1    0  1  1  n
p(ma)      1 1    0  1  1  c
p(fmu)     1 1    0  1  1  f
% -------------------------------------------------
asf
	W(mu,cel)        0.00 0.0000  0.200
	W(mu,fcel)       0.00 0.0000  0.200
	W(mu,pa)        10.12 0.0034  0.353
	W(mu,ma)        35  0  0
	W(mu,fmu)        0  0  0
	W(cel,fcel)      0  0  0
	W(cel,pa)       45  0  0.25
	W(cel,ma)       50  0  0              
	W(cel,fmu)       0  0  0
	W(fcel,pa)      45  0  0.25
	W(fcel,ma)      50  0  0               
	W(fcel,fmu)      0  0  0
	W(pa,ma)        15  0  0
	W(pa,fmu)       30  0  0 
	W(ma,fmu)       35  0  0
	
	mu            0.63 0.0 0.0
	cel           0.63 0.0 0.0
	fcel          0.63 0.0 0.0
	pa            0.37 0.0 0.0
	ma            0.63 0.0 0.0
	fmu           0.63 0.0 0.0
% -------------------------------------------------
10
xKA        1 1    1  2  -1  c  -1  n
xNaA       1 1    0  1  1  n
xCaA       1 1    0  1  1  c
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
xAlM2B     1 1    1  1  -1  f
xFe3M2B    1 1    0  1  1  f
xSiT1      1 1    1  2  -1/2  c  -1/2  y
xAlT1      1 1    0  2  1/2  c  1/2  y
% -------------------------------------------------
 
mu      4    5  xKA 1  xAlM2A 1  xAlM2B 1  xSiT1 1  xAlT1 1  
  check 0  1  0  0  0  
  
cel     1    4  xKA 1  xMgM2A 1  xAlM2B 1  xSiT1 2  
  check 0  0  0  0  0  
  
fcel    1    4  xKA 1  xFeM2A 1  xAlM2B 1  xSiT1 2  
  check 1  0  0  0  0 
   
pa      4    5  xNaA 1  xAlM2A 1  xAlM2B 1  xSiT1 1  xAlT1 1  
  check 0  1  0  1  0  
  
ma      1    4  xCaA 1  xAlM2A 1  xAlM2B 1  xAlT1 2  
  check 0  1  0  0  1  
  make 1 ma 1
  DQF   6.5 0  0      
  
fmu     4    5  xKA 1  xAlM2A 1  xFe3M2B 1  xSiT1 1  xAlT1 1  
  check 0  1  1  0  0  
  make  3   mu 1  gr -1/2  andr 1/2
  DQF   25  0  0    


% =================================================





% -------------------------------------------------
% st: FMASH
% 
% coded by axe attack on 13 July 2011
% 
%         X                   Y                         
%         Mg    Fe    Mn      Al    Fe3   Ti    v       
% mst     4     0     0       2     0     0     0       
% fst     0     4     0       2     0     0     0       
% mnst    0     0     4       2     0     0     0       
% msto    4     0     0       0     2     0     0       
% mstt    4     0     0       0     0     3/2   1/2     
%
%         xFeX
% x -> -----------
%      xFeX + xMgX
%
% m -> xMnX
%
% f -> xFe3Y
%
% t -> xTiY
% -------------------------------------------------
 
st  5  1
 
  x(st)            0.88
  m(st)            0.02
  f(st)            0.05
  t(st)            0.04
% -------------------------------------------------
 
p(mst)     2 1    1  4  -1  f  -1  m  -1  x  -4/3  t
             2    0  1  1  m    0  1  1  x
 
p(fst)     2 1    0  1   1  x
             2    0  1  -1  m    0  1  1  x
 
p(mnst)    1 1    0  1  1  m
 
p(msto)    1 1    0  1  1  f
 
p(mstt)    1 1    0  1  4/3  t
% -------------------------------------------------
sf
W(mst,fst)                16         0         0
W(mst,mnst)               12         0         0
W(mst,msto)                2         0         0
W(mst,mstt)               20         0         0
W(fst,mnst)                8         0         0
W(fst,msto)               18         0         0
W(fst,mstt)               36         0         0
W(mnst,msto)              14         0         0
W(mnst,mstt)              32         0         0
W(msto,mstt)              30         0         0
 
% -------------------------------------------------
7
 
xMgX       2 1    1  2  -1  m  -1  x
             2    0  1  1  m    0  1  1  x
 
xFeX       2 1    0  1   1  x
             2    0  1  -1  m    0  1  1  x
 
xMnX       1 1    0  1  1  m
 
xAlY       1 1    1  2  -1  f  -4/3  t
 
xFe3Y      1 1    0  1  1  f
 
xTiY       1 1    0  1  1  t
 
xvY        1 1    0  1  1/3  t
% -------------------------------------------------
 
mst     1    2  xMgX 4  xAlY 2  
  check 0  0  0  0  
  make  1  mst 1
  DQF   -8  0  0    
 
fst     1    2  xFeX 4  xAlY 2  
  check 1  0  0  0  
 
mnst    1    2  xMnX 4  xAlY 2  
  check 0  1  0  0 
  make 1 mnst 1
  DQF  -0.19  0  0 
 
msto    1    2  xMgX 4  xFe3Y 2  
  check 0  0  1  0  
  make 3  mst 1 gr -1 andr 1
  DQF   9  0  0   
 
mstt   3.0792  3  xMgX 4  xTiY 3/2  xvY 1/2  
  check 0  0  0  3/4  
  make 3  mst 1 cor -1 ru 3/2
  DQF   13  0  0
% =================================================

% =================================================
% -------------------------------------------------
% chl: FMASHO
% full un-equi
% 
% coded by axe attack on 08 March 2011
% 
%         M1                        M23                 M4                        T2            
%         Mg    Mn    Fe    Al      Mg    Mn    Fe      Mg    Fe    Fe3   Al      Si    Al      
% clin    1     0     0     0       4     0     0       0     0     0     1       1     1       
% afchl   1     0     0     0       4     0     0       1     0     0     0       2     0       
% ames    0     0     0     1       4     0     0       0     0     0     1       0     2       
% daph    0     0     1     0       0     0     4       0     0     0     1       1     1       
% ochl1   1     0     0     0       0     0     4       0     1     0     0       2     0       
% ochl4   0     0     1     0       4     0     0       1     0     0     0       2     0       
% f3clin  1     0     0     0       4     0     0       0     0     1     0       1     1       
% mnchl   0     1     0     0       0     4     0       0     0     0     1       1     1       
%
%                   xFeM1 + 4 xFeM23 + xFeM4
% x -> ---------------------------------------------------
%      xFeM1 + 4 xFeM23 + xFeM4 + xMgM1 + 4 xMgM23 + xMgM4
%
%      xAlM1 + xAlM4
% y -> -------------
%            2
%
% f -> xFe3M4
%
% m -> xMnM23
%
%        -xAlM1 + xAlM4
% QAl -> --------------
%              2
%
%               xFeM1
% Q1 -> x - -------------
%           xFeM1 + xMgM1
%
%               xFeM4
% Q4 -> x - -------------
%           xFeM4 + xMgM4
% -------------------------------------------------
 
chl  8  1
 
  x(chl)             0.3
  y(chl)            0.55
  f(chl)            0.150349
  m(chl)            0.00421140
  QAl(chl)          0.42  range -1.000 1.000
  Q1(chl)          -0.18  range -1.000 1.000
  Q4(chl)          -0.26  range -1.000 1.000
% -------------------------------------------------
 
p(clin)    11 1    0  4  -1/4  Q1  -1  m  2  QAl  -5/4  Q4
             2    0  1  1/4  m    0  1  1  Q1
             2    0  1  5/4  f    0  1  1  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  f    0  1  1  x
             2    0  1  1  m    0  1  1  x
             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)   10 1    1  6  -1  f  -1  QAl  -1  y  -2  x  5/4  Q1  9/4  Q4
             2    0  1  -5/4  m    0  1  1  Q1
             2    0  1  -9/4  f    0  1  1  Q4
             2    0  1  5/4  Q1    0  1  1  QAl
             2    0  1  -9/4  Q4    0  1  1  QAl
             2    0  1  2  f    0  1  1  x
             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)    11 1    0  2  1/4  Q1  5/4  Q4
             2    0  1  -1/4  m    0  1  1  Q1
             2    0  1  -5/4  f    0  1  1  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  f    0  1  1  x
             2    0  1  -1  m    0  1  1  x
             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)   7 1    0  2  -1  Q4   1  x
             2    0  1  1  f    0  1  1  Q4
             2    0  1  1  Q4    0  1  1  QAl
             2    0  1  -1  f    0  1  1  x
             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)   9 1    0  3   1  x  -5/4  Q1  -5/4  Q4
             2    0  1  5/4  m    0  1  1  Q1
             2    0  1  5/4  f    0  1  1  Q4
             2    0  1  -5/4  Q1    0  1  1  QAl
             2    0  1  5/4  Q4    0  1  1  QAl
             2    0  1  -1  f    0  1  1  x
             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
 
p(f3clin)   1 1    0  1  1  f
 
p(mnchl)   1 1    0  1  1  m
% -------------------------------------------------
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(clin,f3clin)             2         0         0
W(clin,mnchl)              6         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(afchl,f3clin)           15         0         0
W(afchl,mnchl)            23         0         0
W(ames,daph)              30         0         0
W(ames,ochl1)             29         0         0
W(ames,ochl4)             13         0         0
W(ames,f3clin)            19         0         0
W(ames,mnchl)             17         0         0
W(daph,ochl1)             18         0         0
W(daph,ochl4)             33         0         0
W(daph,f3clin)            22         0         0
W(daph,mnchl)              4         0         0
W(ochl1,ochl4)            24         0         0
W(ochl1,f3clin)         28.6         0         0
W(ochl1,mnchl)            19         0         0
W(ochl4,f3clin)           19         0         0
W(ochl4,mnchl)            22         0         0
W(f3clin,mnchl)            8         0         0 
% -------------------------------------------------
13
 
xMgM1      7 1    1  5  -1  m   1  Q1   1  QAl  -1  x  -1  y
             2    0  1  -1  m    0  1  1  Q1
             2    0  1  1  Q1    0  1  1  QAl
             2    0  1  1  m    0  1  1  x
             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
 
xMnM1      1 1    0  1  1  m
 
xFeM1      7 1    0  2  -1  Q1   1  x
             2    0  1  1  m    0  1  1  Q1
             2    0  1  -1  Q1    0  1  1  QAl
             2    0  1  -1  m    0  1  1  x
             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     8 1    1  4  -1/4  Q1  -1/4  Q4  -1  m  -1  x
             2    0  1  1/4  m    0  1  1  Q1
             2    0  1  1/4  f    0  1  1  Q4
             2    0  1  -1/4  Q1    0  1  1  QAl
             2    0  1  1/4  Q4    0  1  1  QAl
             2    0  1  1  m    0  1  1  x
             2    0  1  1/4  Q1    0  1  1  y
             2    0  1  1/4  Q4    0  1  1  y
 
xMnM23     1 1    0  1  1  m
 
xFeM23     8 1    0  3  1/4  Q1  1/4  Q4   1  x
             2    0  1  -1/4  m    0  1  1  Q1
             2    0  1  -1/4  f    0  1  1  Q4
             2    0  1  1/4  Q1    0  1  1  QAl
             2    0  1  -1/4  Q4    0  1  1  QAl
             2    0  1  -1  m    0  1  1  x
             2    0  1  -1/4  Q1    0  1  1  y
             2    0  1  -1/4  Q4    0  1  1  y
 
xMgM4      7 1    1  5  -1  f   1  Q4  -1  QAl  -1  x  -1  y
             2    0  1  -1  f    0  1  1  Q4
             2    0  1  -1  Q4    0  1  1  QAl
             2    0  1  1  f    0  1  1  x
             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      7 1    0  2  -1  Q4   1  x
             2    0  1  1  f    0  1  1  Q4
             2    0  1  1  Q4    0  1  1  QAl
             2    0  1  -1  f    0  1  1  x
             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
 
xFe3M4     1 1    0  1  1  f
 
xAlM4      1 1    0  2   1  QAl   1  y
 
xSiT2      1 1    1  2  -1/2  f  -1  y
 
xAlT2      1 1    0  2  1/2  f   1  y
% -------------------------------------------------
 
clin    4    5  xMgM1 1  xMgM23 4  xAlM4 1  xSiT2 1  xAlT2 1  
  check 0  1/2  0  0  1/2  0  0  
 
afchl   1    4  xMgM1 1  xMgM23 4  xMgM4 1  xSiT2 2  
  check 0  0  0  0  0  0  0  
 
ames    1    4  xAlM1 1  xMgM23 4  xAlM4 1  xAlT2 2  
  check 0  1  0  0  0  0  0  
 
daph    4    5  xFeM1 1  xFeM23 4  xAlM4 1  xSiT2 1  xAlT2 1  
  check 1  1/2  0  0  1/2  0  0  
 
ochl1   1    4  xMgM1 1  xFeM23 4  xFeM4 1  xSiT2 2  
  check 5/6  0  0  0  0  5/6  -1/6  
  make  3    afchl    1 clin   -1 daph    1
  DQF     3    0    0
 
ochl4   1    4  xFeM1 1  xMgM23 4  xMgM4 1  xSiT2 2  
  check 1/6  0  0  0  0  -5/6  1/6  
  make  3    afchl    1 clin -1/5 daph  1/5
  DQF     2.4    0    0
 
f3clin  4    5  xMgM1 1  xMgM23 4  xFe3M4 1  xSiT2 1  xAlT2 1  
  check 0  0  1  0  0  0  0  
  make  3  clin  1  gr  -1/2  andr  1/2    
  DQF   2  0  0     % -1(10-12-11); -6; if previous number OK with bi (-6) (6-12-11); WAS 0
 
mnchl   4    5  xMnM1 1  xMnM23 4  xAlM4 1  xSiT2 1  xAlT2 1  
  check 0  1/2  0  1  1/2  0  0  
  make 1 mnchl 1
  DQF -5.67  0  0     
% =================================================

% =================================================
% -------------------------------------------------
% ctd: FMASHO
% tjbh model, but single formula unit; Mg-ctdo; rp DQF(ctdo) and W
% 
% coded by axe attack on 09 July 2011 
% 
%         M1A           M1B                 
%         Al    Fe3     Fe    Mg    Mn      
% mctd    1/2   0       0     1     0       
% fctd    1/2   0       1     0     0       
% mnctd   1/2   0       0     0     1       
% ctdo    0     1/2     0     1     0       
%
%          xFeM1B
% x -> ---------------
%      xFeM1B + xMgM1B
%
% m -> xMnM1B
%
% f -> xFe3M1A
% -------------------------------------------------
 
ctd  4  1
 
  x(ctd)         0.88
  m(ctd)         0.01
  f(ctd)         0.02
% -------------------------------------------------
 
p(mctd)    2 1    1  3  -1  f  -1  m  -1  x
             2    0  1  1  m    0  1  1  x
 
p(fctd)    2 1    0  1   1  x
             2    0  1  -1  m    0  1  1  x
 
p(mnctd)   1 1    0  1  1  m
 
p(ctdo)    1 1    0  1  1  f
% -------------------------------------------------
sf
W(mctd,fctd)               4         0         0
W(mctd,mnctd)              3         0         0
W(mctd,ctdo)               1         0         0
W(fctd,mnctd)              3         0         0
W(fctd,ctdo)               5         0         0
W(mnctd,ctdo)              4         0         0
 
% -------------------------------------------------
5
 
xAlM1A     1 1    1  1  -1  f
 
xFe3M1A    1 1    0  1  1  f
 
xFeM1B     2 1    0  1   1  x
             2    0  1  -1  m    0  1  1  x
 
xMgM1B     2 1    1  2  -1  m  -1  x
             2    0  1  1  m    0  1  1  x
 
xMnM1B     1 1    0  1  1  m
% -------------------------------------------------
 
mctd    1    2  xAlM1A 1/2  xMgM1B 1  
  check 0  0  0  
 
fctd    1    2  xAlM1A 1/2  xFeM1B 1  
  check 1  0  0  
 
mnctd   1    2  xAlM1A 1/2  xMnM1B 1  
  check 0  1  0 
  make 1 mnctd 1
  DQF 0.66  0  0
 
ctdo    1    2  xFe3M1A 1/2  xMgM1B 1  
  check 0  0  1  
  make  3  mctd 1   andr  1/4   gr -1/4
  DQF   13.5  0  0    
% ================================================= 
  


% =================================================
% simple spinel

sp0 2    1
      x(sp0) 0.89
 
 % --------------------------------------------------
  p(sp)    1 1      1  1 -1  x
  p(herc)   1 1      0  1  1  x
% --------------------------------------------------  

ideal    
   
% --------------------------------------------------
2  
	 x(Mg)   1 1      1  1 -1  x
   x(Fe)   1 1      0  1  1  x   
% --------------------------------------------------   
   sp      1  1    x(Mg)  1
   herc    1  1    x(Fe)  1 
% =================================================









% herc-mt-sp coding in Fe2-Mg-Al-Fe3-Ti

sp 4  1

 x(sp)    0.9    % Fe2/(Mg + Fe2)
 y(sp)    0.95   % Al/(Al + Fe3 + 2Ti)
 z(sp)    0.01   % 2Ti/(Al + Fe3 + 2Ti)

% --------------------------------------------------
  

  p(herc)  2 1    0  1   1  y
             2   -1  1   1  x    1  1   1  z

  p(sp)    1 2    1  1  -1  x    1  1   1  z

  p(mt)    1 1    1  2  -1  y -1  z

  p(usp)   1 1    0  1   1  z

% --------------------------------------------------

  sf

  W(herc,sp)       0  0  0
  W(herc,mt)    18.5  0  0
  W(herc,usp)     27  0  0
  W(sp,mt)        40  0  0
  W(sp,usp)       30  0  0    % * free
  W(mt,usp)        0  0  0

% --------------------------------------------------

  5     % site fractions

  x(Al)       1 1    0  1  1  y

  x(Fe3)      1 1    1  2 -1  y -1  z

  x(Ti)       1 1    0  1  1  z

  x(Mg)       1 1    1  1 -1  x

  x(Fe2)      1 1    0  1  1  x


% --------------------------------------------------

   herc    1  2    x(Al)  1    x(Fe2)  1

   sp      1  2    x(Al)  1    x(Mg)   1

   mt      1  2    x(Fe3) 1    x(Fe2)  1

   usp     1  2    x(Ti)  1    x(Fe2)  1

% =====================================================================
% herc-mt-sp coding in Fe2-Mg-Al-Fe3-Ti
% NOT including ulvospinel, because of dodgy model...

sp1 3  1

 x(sp1)    0.9    % Fe2/(Mg + Fe2)
 y(sp1)    0.95   % Al/(Al + Fe3)

% --------------------------------------------------
  

  p(herc)  1 1   -1  2   1  y  1  x

  p(sp)    1 1    1  1  -1  x 

  p(mt)    1 1    1  1  -1  y

% --------------------------------------------------

  sf

  W(herc,sp)     0  0  0
  W(herc,mt)  18.5  0  0
  W(sp,mt)      40  0  0

% --------------------------------------------------

  4     % site fractions

  x(Al)       1 1    0  1  1  y

  x(Fe3)      1 1    1  1 -1  y

  x(Mg)       1 1    1  1 -1  x

  x(Fe2)      1 1    0  1  1  x


% --------------------------------------------------

   herc    1  2    x(Al)  1    x(Fe2)  1

   sp      1  2    x(Al)  1    x(Mg)   1

   mt      1  2    x(Fe3) 1    x(Fe2)  1

% =====================================================================

% =====================================================================

mt 4  1

 x(mt)    0.98   % Fe2/(Mg + Fe2)
 y(mt)    0.09   % Al/(Al + Fe3 + 2Ti)
 z(mt)    0.14   % 2Ti/(Al + Fe3 + 2Ti)

% --------------------------------------------------
  

  p(herc)  2 1    0  1   1  y
           2   -1  1   1  x    1  1   1  z

  p(sp)  1 2    1  1  -1  x    1  1   1  z

  p(mt)  1 1    1  2  -1  y -1  z

  p(usp) 1 1    0  1   1  z

% --------------------------------------------------

  sf

  W(herc,sp)     0  0  0
  W(herc,mt)  18.5  0  0
  W(herc,usp)   27  0  0
  W(sp,mt)      40  0  0
  W(sp,usp)     30  0  0    % * free
  W(mt,usp)      0  0  0

% --------------------------------------------------

  5     % site fractions

  x(Al)       1 1    0  1  1  y

  x(Fe3)      1 1    1  2 -1  y -1  z

  x(Ti)       1 1    0  1  1  z

  x(Mg)       1 1    1  1 -1  x

  x(Fe2)      1 1    0  1  1  x


% --------------------------------------------------

   herc    1  2    x(Al)  1    x(Fe2)  1

   sp      1  2    x(Al)  1    x(Mg)   1

   mt      1  2    x(Fe3) 1    x(Fe2)  1

   usp     1  2    x(Ti)  1    x(Fe2)  1

     
% =================================================
% -------------------------------------------------
% ilmenite
% Mn and Mg just on A
% 
% coded by axe attack on 08 March 2011
% 
%         A                               B                   
%         Fe    Ti    Mg    Mn    Fe3     Fe    Ti    Fe3     
% oilm    1     0     0     0     0       0     1     0       
% dilm    1/2   1/2   0     0     0       1/2   1/2   0       
% hem     0     0     0     0     1       0     0     1       
% geik    0     0     1     0     0       0     1     0       
% pnt     0     0     0     1     0       0     1     0       
%
% i -> 1 - xFe3A
%
% g -> xMgA
%
% m -> xMnA
%
% Q -> xFeA - xFeB
% -------------------------------------------------
 
ilm  5  1
 
  i(ilm)           0.9
  g(ilm)           0.02
  m(ilm)           0.02
  Q(ilm)           0.85  range -1 1
% -------------------------------------------------
 
p(oilm)    1 1    0  1  1  Q
 
p(dilm)    1 1    0  4  -1  g   1  i  -1  m  -1  Q
 
p(hem)     1 1    1  1  -1  i
 
p(geik)    1 1    0  1  1  g
 
p(pnt)     1 1    0  1  1  m
% -------------------------------------------------
sf
W(oilm,dilm)            15.6         0         0
W(oilm,hem)             26.6         0         0
W(oilm,geik)               4         0         0
W(oilm,pnt)                2         0         0
W(dilm,hem)               11         0         0
W(dilm,geik)               4         0         0
W(dilm,pnt)                2         0         0
W(hem,geik)               36         0         0
W(hem,pnt)                25         0         0
W(geik,pnt)                4         0         0
 
% -------------------------------------------------
8
 
xFeA       1 1    0  4  -1/2  g  1/2  i  -1/2  m  1/2  Q
 
xTiA       1 1    0  4  -1/2  g  1/2  i  -1/2  m  -1/2  Q
 
xMgA       1 1    0  1  1  g
 
xMnA       1 1    0  1  1  m
 
xFe3A      1 1    1  1  -1  i
 
xFeB       1 1    0  4  -1/2  g  1/2  i  -1/2  m  -1/2  Q
 
xTiB       1 1    0  4  1/2  g  1/2  i  1/2  m  1/2  Q
 
xFe3B      1 1    1  1  -1  i
% -------------------------------------------------
 
oilm    1    2  xFeA 1  xTiB 1  
  check 1  0  0  1  
    make  1  ilm  1
    DQF  disordered  -13.6075 0.009426 0  % DQF - dH + R Log[4]; dH = 15.6
 
dilm    4    4  xFeA 1/2  xTiA 1/2  xFeB 1/2  xTiB 1/2  
  check 1  0  0  0  
     make  1  ilm  1
     DQF   disordered  1.9928 -0.0021 0    % DQF = G(equil,Landau) - G(equil,SF)
 
hem     1    2  xFe3A 1  xFe3B 1  
  check 0  0  0  0  
  make 1 hem 1     % this had somehow got omitted
  DQF  disordered 0  0  0
 
geik    1    2  xMgA 1  xTiB 1  
  check 1  1  0  0  
 
pnt     1    2  xMnA 1  xTiB 1  
  check 1  0  1  0  
% =================================================

% =================================================
% -------------------------------------------------
% hematite
% Mn and Mg just on A
% 
% coded by axe attack on 08 March 2011
% 
%         A                               B                   
%         Fe    Ti    Mg    Mn    Fe3     Fe    Ti    Fe3     
% oilm    1     0     0     0     0       0     1     0       
% dilm    1/2   1/2   0     0     0       1/2   1/2   0       
% hem     0     0     0     0     1       0     0     1       
% geik    0     0     1     0     0       0     1     0       
% pnt     0     0     0     1     0       0     1     0       
%
% i -> 1 - xFe3A
%
% g -> xMgA
%
% m -> xMnA
%
% Q -> xFeA - xFeB
% -------------------------------------------------
 
hem  5  1
 
  i(hem)           0.1
  g(hem)           0.02
  m(hem)           0.02
  Q(hem)           0.01    range -0.3  0.3
% -------------------------------------------------
 
p(oilm)    1 1    0  1  1  Q
 
p(dilm)    1 1    0  4  -1  g   1  i  -1  m  -1  Q
 
p(hem)     1 1    1  1  -1  i
 
p(geik)    1 1    0  1  1  g
 
p(pnt)     1 1    0  1  1  m
% -------------------------------------------------
sf
W(oilm,dilm)            15.6         0         0
W(oilm,hem)             26.6         0         0
W(oilm,geik)               4         0         0
W(oilm,pnt)                2         0         0
W(dilm,hem)               11         0         0
W(dilm,geik)               4         0         0
W(dilm,pnt)                2         0         0
W(hem,geik)               36         0         0
W(hem,pnt)                25         0         0
W(geik,pnt)                4         0         0
 
% -------------------------------------------------
8
 
xFeA       1 1    0  4  -1/2  g  1/2  i  -1/2  m  1/2  Q
 
xTiA       1 1    0  4  -1/2  g  1/2  i  -1/2  m  -1/2  Q
 
xMgA       1 1    0  1  1  g
 
xMnA       1 1    0  1  1  m
 
xFe3A      1 1    1  1  -1  i
 
xFeB       1 1    0  4  -1/2  g  1/2  i  -1/2  m  -1/2  Q
 
xTiB       1 1    0  4  1/2  g  1/2  i  1/2  m  1/2  Q
 
xFe3B      1 1    1  1  -1  i
% -------------------------------------------------
 
oilm    1    2  xFeA 1  xTiB 1  
  check 1  0  0  1  
    make  1  ilm  1
    DQF  disordered  -13.6075 0.009426 0  % DQF - dH + R Log[4]; dH = 15.6
 
dilm    4    4  xFeA 1/2  xTiA 1/2  xFeB 1/2  xTiB 1/2  
  check 1  0  0  0  
     make  1  ilm  1
     DQF  disordered   1.9928 -0.0021 0    % DQF = G(equil,Landau) - G(equil,SF)
 
hem     1    2  xFe3A 1  xFe3B 1  
  check 0  0  0  0  
  make 1 hem 1     % this had somehow got omitted
  DQF  disordered 0  0  0
 
geik    1    2  xMgA 1  xTiB 1  
  check 1  1  0  0  
 
pnt     1    2  xMnA 1  xTiB 1  
  check 1  0  1  0  
% =================================================
% =============================================================
% This is an alternative magnetite that should be used at greenschist up to amphibolite grade
% ie if you are only looking at sub solidus equilibria use this model
% =============================================================
% Magnetite: FTO
% White, RW, Powell, R, Holland, TJB & Worley, BA (2000) The effect of TiO2 and
% Fe2O3 on metapelitic assemblages at greenschist and amphibolite facies conditions:
% mineral equilibria calculations in the system K2O-FeO-MgO-Al2O3-SiO2-H2O-TiO2-Fe2O3.
% Journal of Metamorphic Geology, 18, 497-511.
%
% no Al, but proper od

mt1 3 1

 x(mt0) 0.9704   % prop "mt"
 Q(mt0) 0.7472   % x(Fe3,tet)

% --------------------------------------------------
% psub = {pi -> 3Q - 2x, pd -> 3x - 3Q, pu -> 1 - x};

 p(imt)  1 1    0  2 -2  x  3  Q

 p(dmt)  1 1    0  2  3  x -3  Q

 p(usp)  1 1    1  1 -1  x

% --------------------------------------------------

sf

 W(imt,dmt)    2.4  0  0
 W(imt,usp)     1  0  0
 W(dmt,usp)    -5  0  0
% --------------------------------------------------
 5

% sfsub = {xFe3oct -> x - Q/2, xFe2oct -> 1/2 + Q/2 - x/2,   xTioct -> 1/2 - 1/2 x,
%          xFe3tet -> Q,       xFe2tet -> 1 - Q};

 x(Ti,oct)   1 1   1/2   1 -1/2  x
 x(Fe3,oct)  1 1    0    2   1   x -1/2 Q
 x(Fe2,oct)  1 1   1/2   2 -1/2  x  1/2 Q
 x(Fe3,tet)  1 1    0    1   1   Q
 x(Fe2,tet)  1 1    1    1  -1   Q
% --------------------------------------------------

% magnetic landau NOT included

imt      4  3    x(Fe3,oct)  1  x(Fe2,oct)  1  x(Fe3,tet)  1
    make  1  mt  1
    DQF   disordered   -1.8595  0.003166 0   % from dmt, - dHid - RT Log[16/27]
    check 1 1                      %      dHid = 3.19

dmt   27/4  4    x(Fe3,oct) 4/3 x(Fe2,oct) 2/3 x(Fe3,tet)  2/3 x(Fe2,tet) 1/3
    make  1  mt  1
    DQF  disordered 1.3305  -0.0011845  0    % taking off config dqf
    check 1 2/3

usp      4  3    x(Ti,oct)  1  x(Fe2,oct)  1  x(Fe2,tet)  1
    check 0 0

% =====================================================================

ksp0 1 san

heme 1 hem

mt0 1 mt
ilm0 1 ilm

ab     %0  1 ab

Ni NiO 0.55 % to emulate QFM 700°C or so; 0.65 for 900°C

ru sill and ky q H2O abh sph cz ta

*







































&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&

% =================================================
% -------------------------------------------------
% ctd: FMASHO
% original X-Y coding: superceded by smye et al
% 
% coded by axe attack on 04 March 2011
% 
%         X                   Y             
%         Fe    Mg    Mn      Al    Fe3     
% mctd    0     1     0       2     0       
% fctd    1     0     0       2     0       
% mnctd   0     0     1       2     0       
% ctdo    0     1     0       0     2       
%
%         xFeX
% x -> -----------
%      xFeX + xMgX
%
% m -> xMnX
%
% f -> xFe3Y
% -------------------------------------------------
 
octd  4  1
 
  x(octd)            0.1
  m(octd)            0.02
  f(octd)            0.04
% -------------------------------------------------
 
p(mctd)    2 1    1  3  -1  f  -1  m  -1  x
             2    0  1  1  m    0  1  1  x
 
p(fctd)    2 1    0  1   1  x
             2    0  1  -1  m    0  1  1  x
 
p(mnctd)   1 1    0  1  1  m
 
p(ctdo)    1 1    0  1  1  f
% -------------------------------------------------
sf
W(mctd,fctd)               4         0         0   % using WFeMg=4
W(mctd,mnctd)              3         0         0
W(mctd,ctdo)               1         0         0
W(fctd,mnctd)              2         0         0
W(fctd,ctdo)               5         0         0
W(mnctd,ctdo)              4         0         0
 
% -------------------------------------------------
5
 
xFeX       2 1    0  1   1  x
             2    0  1  -1  m    0  1  1  x
 
xMgX       2 1    1  2  -1  m  -1  x
             2    0  1  1  m    0  1  1  x
 
xMnX       1 1    0  1  1  m
 
xAlY       1 1    1  1  -1  f
 
xFe3Y      1 1    0  1  1  f
% -------------------------------------------------
 
mctd    1    2  xMgX 1  xAlY 2  
  check 0  0  0  
 
fctd    1    2  xFeX 1  xAlY 2  
  check 1  0  0  
 
mnctd   1    2  xMnX 1  xAlY 2  
  check 0  1  0  
 
ctdo    1    2  xMgX 1  xFe3Y 2  
  check 0  0  1  
  make  3  mctd 1 gr -1  andr 1       
  DQF       53  0  0             % is 25 in smye et al, BUT in a double formula setup
                                 % with a split M1 site, and with it being the Fe2+ end-member
% =================================================


% =================================================
% FMASHO chloritoid. TJBH 2009
% -------------------------------------------------
% chloritoid: MnFMASHO (double formula unit)
% 
%         M1A         M1B       
%         Al  Fe3     Mg  Fe  Mn   
% mctd    1   0       2   0   0   
% fctd    1   0       0   2   0     
% ctdo    0   1       0   2   0     
% mnctd   1   0       0   0   2     
%
% x  -> Fe/(Fe+Mg)
% f  -> xFe3M1A
% m -> xMnM1B

% -------------------------------------------------
ctdt  4
      x(ctdt) 0.5572	
      f(ctdt) 0.1502
      m(ctdt) 0.001728
     
% -------------------------------------------------

p(mctd)    1 2    1  1  -1  m    1  1  -1   x
p(fctd)    2 2    1  1  -1  m    0  1   1   x
             1    0  1  -1   f
p(fctdo)   1 1    0  1   1   f
p(mnctd)   1 1    0  1   1  m
% -------------------------------------------------
sf
   w(mctd,fctd)   1 0 0
   w(mctd,fctdo)  0 0 0
   w(mctd,mnctd)  1 0 0
   w(fctd,fctdo)  0 0 0
   w(fctd,mnctd)  1 0 0
   w(fctdo,mnctd) 0 0 0
   
% -------------------------------------------------
5
xAlM1A     1 1    1  1  -1  f
xFe3M1A    1 1    0  1   1  f
xMgM1B     1 2    1  1  -1  m  1  1  -1   x
xFeM1B     1 2    1  1  -1  m  0  1   1   x
xMnM1B     1 1    0  1   1  m
% -------------------------------------------------

mctd    1    2   xAlM1A 1  xMgM1B 2  
  make  1  mctd 2
  check 0  0  0
  
fctd    1    2   xAlM1A 1  xFeM1B 2  
  make  1  fctd 2
  check 1  0  0  
  
fctdo    1    2  xFe3M1A 1  xFeM1B 2  
  make  3  fctd 2   hem  1/2   cor -1/2
  DQF   25  0  0
  check 1  1  0  

mnctd    1   2   xAlM1A 1  xMnM1B 2
  make  1  mnctd 2
  check 0  0  1
  
% =================================================
% -------------------------------------------------
% ctd tim/normal: FMASHO
% 
% coded by axe attack on 09 July 2011
% 
%         M1A           M1B                 
%         Al    Fe3     Fe    Mg    Mn      
% ctd     1/2   0       0     1     0       
% fctd    1/2   0       1     0     0       
% mnctd   1/2   0       0     0     1       
% fctdo   0     1/2     1     0     0       
%
%          xFeM1B
% x -> ---------------
%      xFeM1B + xMgM1B
%
% m -> xMnM1B
%
% f -> xFe3M1A
% -------------------------------------------------
 
ctdth  4
 
  x(ctdth)         0.85
  m(ctdth)         0.05
  f(ctdth)         0.02
% -------------------------------------------------
 
p(mctd)     2 1    1  2  -1  m  -1  x
             2    0  1  1  m    0  1  1  x
 
p(fctd)    2 1    0  2  -1  f   1  x
             2    0  1  -1  m    0  1  1  x
 
p(mnctd)   1 1    0  1  1  m
 
p(fctdo)   1 1    0  1  1  f
% -------------------------------------------------
sf
W(mctd,fctd)             0.5         0         0 
W(mctd,mnctd)              1         0         0
W(mctd,fctdo)              0         0         0
W(fctd,mnctd)              1         0         0
W(fctd,fctdo)              0         0         0
W(mnctd,fctdo)             0         0         0
 
% -------------------------------------------------
5
 
xAlM1A     1 1    1  1  -1  f
 
xFe3M1A    1 1    0  1  1  f
 
xFeM1B     2 1    0  1   1  x
             2    0  1  -1  m    0  1  1  x
 
xMgM1B     2 1    1  2  -1  m  -1  x
             2    0  1  1  m    0  1  1  x
 
xMnM1B     1 1    0  1  1  m
% -------------------------------------------------
 
mctd     1    2  xAlM1A 1/2  xMgM1B 1  
  check 0  0  0  
 
fctd    1    2  xAlM1A 1/2  xFeM1B 1  
  check 1  0  0  
 
mnctd   1    2  xAlM1A 1/2  xMnM1B 1  
  check 0  1  0  
 
fctdo   1    2  xFe3M1A 1/2  xFeM1B 1  
  check 1  0  1  
  make  3  fctd 1   hem  1/4   cor -1/4
  DQF   12.5  0  0   

% =================================================

% =================================================
% -------------------------------------------------
% ctd: FMASHO
% 
% 
% coded by axe attack on 09 July 2011
% 
%         M1A           M1B                 
%         Al    Fe3     Fe    Mg    Mn      
% mctd    1/2   0       0     1     0       
% fctd    1/2   0       1     0     0       
% mnctd   1/2   0       0     0     1       
% ctdo    0     1/2     0     1     0       
%
%          xFeM1B
% x -> ---------------
%      xFeM1B + xMgM1B
%
% m -> xMnM1B
%
% f -> xFe3M1A
% -------------------------------------------------
 
ctdth2  4
 
  x(ctdth2)         0.88
  m(ctdth2)         0.01
  f(ctdth2)         0.02
% -------------------------------------------------
 
p(mctd)    2 1    1  3  -1  f  -1  m  -1  x
             2    0  1  1  m    0  1  1  x
 
p(fctd)    2 1    0  1   1  x
             2    0  1  -1  m    0  1  1  x
 
p(mnctd)   1 1    0  1  1  m
 
p(ctdo)    1 1    0  1  1  f
% -------------------------------------------------
sf
W(mctd,fctd)             0.5         0         0
W(mctd,mnctd)            0.5         0         0
W(mctd,ctdo)               0         0         0
W(fctd,mnctd)            0.5         0         0
W(fctd,ctdo)               1         0         0
W(mnctd,ctdo)            0.5         0         0
 
% -------------------------------------------------
5
 
xAlM1A     1 1    1  1  -1  f
 
xFe3M1A    1 1    0  1  1  f
 
xFeM1B     2 1    0  1   1  x
             2    0  1  -1  m    0  1  1  x
 
xMgM1B     2 1    1  2  -1  m  -1  x
             2    0  1  1  m    0  1  1  x
 
xMnM1B     1 1    0  1  1  m
% -------------------------------------------------
 
mctd    1    2  xAlM1A 1/2  xMgM1B 1  
  check 0  0  0  
 
fctd    1    2  xAlM1A 1/2  xFeM1B 1  
  check 1  0  0  
 
mnctd   1    2  xAlM1A 1/2  xMnM1B 1  
  check 0  1  0  
 
ctdo    1    2  xFe3M1A 1/2  xMgM1B 1  
  check 0  0  1  
  make  3  mctd 1   hem  1/4   cor -1/4
  DQF   12  0  0   % 

% =================================================


% =====================================================================
% from White, R.W., Powell, R., Holland, T.J.B. & Worley, B.A., 2000.  % The effect of TiO2 and Fe2O3 on metapelitic assemblages at greenschist and
% amphibolite facies conditions: mineral equilibria calculations in the
% system K2O-FeO-MgO-Al2O3-SiO2-H2O-TiO2-Fe2O3. Journal of Metamorphic Geology, 18, 497-511.
     
oilm 3   1

   x(oilm)         0.9520
   Q(oilm)         0.8996  range -0.990 0.990    % x(Fe2,A) - x(Fe2,B)   

% --------------------------------------------------


% psub = {ph -> 1 - x, po -> Q, pd -> x - Q};

 p(oilm)  1 1    0  1  1  Q

 p(dilm)  1 1    0  2  1  x -1  Q

 p(hem)  1 1    1  1 -1  x

% --------------------------------------------------

sf

 W(oilm,dilm)   15.6  0  0
 W(oilm,hem)    26.6  0  0
 W(dilm,hem)      11  0  0   
% --------------------------------------------------
 6    

% sfsub = {xFe2A -> (x + Q)/2, xTiA -> (x - Q)/2, xFe3A -> 1 - x,
%          xFe2B -> (x - Q)/2, xTiB -> (x + Q)/2, xFe3B -> 1 - x};

 x(Fe2,A)  1 1    0  2  1/2  x  1/2  Q
 x(Ti,A)   1 1    0  2  1/2  x -1/2  Q
 x(Fe3,A)  1 1    1  1 -1  x
 x(Fe2,B)  1 1    0  2  1/2  x -1/2  Q
 x(Ti,B)   1 1    0  2  1/2  x  1/2  Q
 x(Fe3,B)  1 1    1  1 -1  x  

% --------------------------------------------------

oilm      1  2    x(Fe2,A)  1  x(Ti,B)  1            
    make  1  ilm  1
    DQF    -13.6075 0.009426 0  % DQF(dilm) - dH + R T Log[4]; dH = 15.6
    check 1 1
  exclude
  
dilm      4  4    x(Fe2,A)  1/2   x(Ti,A)  1/2   x(Fe2,B)  1/2   x(Ti,B)  1/2         
     make  1  ilm  1
     DQF     1.9928 -0.0021 0    % DQF = G(equil,Landau) - G(equil,SF)
     check 1 0
  
hem       1  2    x(Fe3,A)  1  x(Fe3,B)  1            
     check 0 0
     make 1 hem 1

% =====================================================================
% from White, R.W., Powell, R., Holland, T.J.B. & Worley, B.A., 2000.  % The effect of TiO2 and Fe2O3 on metapelitic assemblages at greenschist and
% amphibolite facies conditions: mineral equilibria calculations in the
% system K2O-FeO-MgO-Al2O3-SiO2-H2O-TiO2-Fe2O3. Journal of Metamorphic Geology, 18, 497-511.

hem 3  1
 
   x(hem) 0.08                     % prop "ilm"
   Q(hem) 0.002 range -0.05 0.05  % x(Fe2,A) - x(Fe2,B)

% --------------------------------------------------


% psub = {ph -> 1 - x, po -> Q, pd -> x - Q};

 p(oilm)  1 1    0  1  1  Q

 p(dilm)  1 1    0  2  1  x -1  Q

 p(hem)  1 1    1  1 -1  x

% --------------------------------------------------

sf

 W(oilm,dilm)   15.6  0  0
 W(oilm,hem)   26.6  0  0
 W(dilm,hem)     11  0  0   
% --------------------------------------------------
 6    

% sfsub = {xFe2A -> (x + Q)/2, xTiA -> (x - Q)/2, xFe3A -> 1 - x,
%          xFe2B -> (x - Q)/2, xTiB -> (x + Q)/2, xFe3B -> 1 - x};

 x(Fe2,A)  1 1    0  2  1/2  x  1/2  Q
 x(Ti,A)   1 1    0  2  1/2  x -1/2  Q
 x(Fe3,A)  1 1    1  1 -1  x
 x(Fe2,B)  1 1    0  2  1/2  x -1/2  Q
 x(Ti,B)   1 1    0  2  1/2  x  1/2  Q
 x(Fe3,B)  1 1    1  1 -1  x  

% --------------------------------------------------

oilm      1  2    x(Fe2,A)  1  x(Ti,B)  1            
    make  1  ilm  1
    DQF    -13.6075 0.009426 0  % DQF - dH + R Log[4]; dH = 15.6
    check 1 1
  exclude
  
dilm      4  4    x(Fe2,A)  1/2   x(Ti,A)  1/2   x(Fe2,B)  1/2   x(Ti,B)  1/2         
     make  1  ilm  1
     DQF     1.9928 -0.0021 0    % DQF = G(equil,Landau) - G(equil,SF)
     check 1 0
  
hem       1  2    x(Fe3,A)  1  x(Fe3,B)  1            
     check 0 0
     make 1 hem 1
     
% =================================================
% -------------------------------------------------
% st: FMASH
% 
% coded by axe attack on 04 March 2011
% 
%         X                   
%         Mg    Fe    Mn      
% mst     4     0     0       
% fst     0     4     0       
% mnst    0     0     4       
%
%         xFeX
% x -> -----------
%      xFeX + xMgX
%
% m -> xMnX
% -------------------------------------------------
 
st  3  1
 
  x(st)            0.85
  m(st)            0.02
% -------------------------------------------------
 
p(mst)     2 1    1  2  -1  m  -1  x
             2    0  1  1  m    0  1  1  x
 
p(fst)     2 1    0  1   1  x
             2    0  1  -1  m    0  1  1  x
 
p(mnst)    1 1    0  1  1  m
% -------------------------------------------------
sf
W(mst,fst)                16         0         0      % TRYING WFeMg=4 - why not?
W(mst,mnst)               12         0         0
W(fst,mnst)                8         0         0
 
% -------------------------------------------------
3
 
xMgX       2 1    1  2  -1  m  -1  x
             2    0  1  1  m    0  1  1  x
 
xFeX       2 1    0  1   1  x
             2    0  1  -1  m    0  1  1  x
 
xMnX       1 1    0  1  1  m
% -------------------------------------------------
 
mst     1    1  xMgX 4  
  check 0  0  
  make  1  mst 1
  DQF   -6  0  0    % using Fe-Mg exchange
 
fst     1    1  xFeX 4  
  check 1  0  
 
mnst    1    1  xMnX 4  
  check 0  1  
% =================================================


% =================================================

ocd 3  1

  x(cd)         0.3151
  h(cd)         0.7294
      
% --------------------------------------------------

  p(crd)    1 1      1  2 -1  x -1  h

  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(frcd,hcrd)   9   0   0  % was 11 - changed to 9 (29-9-11)

% --------------------------------------------------

4  x(Mg)    1 1      1  1 -1  x

   x(Fe)    1 1      0  1  1  x
  
   h        1 1      0  1  1  h
  
   noth     1 1      1  1 -1  h

% --------------------------------------------------

      crd     1    2      x(Mg)  2    noth  1
      
      fcrd    1    2      x(Fe)  2    noth  1
              
      hcrd    1    2      x(Mg)  2       h  1 
% ================================================= 

% ================================================= 
% new white mica coding (for mu, pa) from smye et al (2010)
% -------------------------------------------------
%paragonite: CNKFMASHO
% 
%       A             M2A           M2B       T1        
%       K   Na  Ca    Mg  Fe  Al    Al  Fe3   Si  Al    
% mu    1   0   0     0   0   1     1   0     1   1     
% cel   1   0   0     1   0   0     1   0     2   0     
% fcel  1   0   0     0   1   0     1   0     2   0     
% pa    0   1   0     0   0   1     1   0     1   1     
% ma    0   0   1     0   0   1     1   0     0   2     
% fmu   1   0   0     0   0   1     0   1     1   1     
%
%          xFeM2A
% x -> ---------------
%      xFeM2A + xMgM2A
%
% y -> xAlM2A
%
% f -> xFe3M2B
%
% n -> xNaA
%
% c -> xCaA
% -------------------------------------------------
 
pa  6  1
 
  x(pa)   0.25
  y(pa)   0.60
  f(pa)   0.17
  n(pa)   0.95
  c(pa)   0.02
% -------------------------------------------------
 
p(mu)      1 1    0  4  -1  c  -1  f  -1  n   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
p(pa)      1 1    0  1  1  n
p(ma)      1 1    0  1  1  c
p(fmu)     1 1    0  1  1  f
% -------------------------------------------------
asf
	W(mu,cel)        0.00 0.0000  0.200
	W(mu,fcel)       0.00 0.0000  0.200
	W(mu,pa)        10.12 0.0034  0.353
	W(mu,ma)        35  0  0
	W(mu,fmu)        0  0  0
	W(cel,fcel)      0  0  0
	W(cel,pa)       45  0  0.25
	W(cel,ma)       49  0  0             % 40
	W(cel,fmu)       0  0  0
	W(fcel,pa)      45  0  0.25
	W(fcel,ma)      49  0  0             % 40
	W(fcel,fmu)      0  0  0
	W(pa,ma)        15  0  0
	W(pa,fmu)       30  0  0 
	W(ma,fmu)       35  0  0
	
	mu            0.63 0.0 0.0
	cel           0.63 0.0 0.0
	fcel          0.63 0.0 0.0
	pa            0.37 0.0 0.0
	ma            0.63 0.0 0.0
	fmu           0.63 0.0 0.0
% -------------------------------------------------
10
xKA        1 1    1  2  -1  c  -1  n
xNaA       1 1    0  1  1  n
xCaA       1 1    0  1  1  c
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
xAlM2B     1 1    1  1  -1  f
xFe3M2B    1 1    0  1  1  f
xSiT1      1 1    1  2  -1/2  c  -1/2  y
xAlT1      1 1    0  2  1/2  c  1/2  y
% -------------------------------------------------
 
mu      4    5  xKA 1  xAlM2A 1  xAlM2B 1  xSiT1 1  xAlT1 1  
  check 0  1  0  0  0  
  
cel     1    4  xKA 1  xMgM2A 1  xAlM2B 1  xSiT1 2  
  check 0  0  0  0  0  
  
fcel    1    4  xKA 1  xFeM2A 1  xAlM2B 1  xSiT1 2  
  check 1  0  0  0  0 
   
pa      4    5  xNaA 1  xAlM2A 1  xAlM2B 1  xSiT1 1  xAlT1 1  
  check 0  1  0  1  0  
  
ma      1    4  xCaA 1  xAlM2A 1  xAlM2B 1  xAlT1 2  
  check 0  1  0  0  1  
  make 1 ma 1
  DQF   6.5 0  0       % was 3.0 from RP should it be 1.7 from smye et al??
  
fmu     4    5  xKA 1  xAlM2A 1  xFe3M2B 1  xSiT1 1  xAlT1 1  
  check 0  1  1  0  0  
  make  3   mu 1  gr -1/2  andr 1/2
  DQF   25  0  0    % old value; cor-hem DQF=30 (I had it as 26?)


% =================================================