header
% ====================================================================
  DRY SUBALKALINE TO ALKALINE X-eos in NCKFMASTOCr

  X-eos for calculating diagrams in

  Weller, OM, Holland, TJB, Soderman, CR, Green, ECR, Powell, R, 
    Beard, CD & Riel, N (2024). New Thermodynamic Models for Anhydrous
    Alkaline-Silicate Magmatic Systems. Journal of Petrology, 65,
    doi: 10.1093/petrology/egae098

  Use with dataset file tc-ds636.txt and THERMOCALC tc351 and upwards
 
  X-eos current 30-09-2024; uploaded 07-05-2025 by Eleanor Green

  Solution phases in this file:

    Silicate melt - dry          liq_W24d        Weller et al (2024)
    Olivine                      ol_H18          Holland et al (2018)
    Garnet                       g_W24           Weller et al (2024)
    Spinel (spinel, magnetite,   spl_T21         Tomlinson & Holland (2021)  
       Cr-spinel, ulvospinel)
    Feldspar (plagioclase,       fsp_H22         Holland et al (2022) 
       alkali feldspar)            
    Clinopyroxene                cpx_W24         Weller et al (2024)
       (augite, pigeonite) 
    Orthopyroxene                opx_W24         Weller et al (2024)
    Ilmenite                     ilm_W24         Weller et al (2024)
       (ilmenite, hematite)
    Nepheline (Na-rich, K-rich)	 nph_W24	 Weller et al (2024)	
    Kalsilite  			 kals_W24	 Weller et al (2024)
    Leucite			 lct_W24	 Weller et al (2024)
    Melilite			 mel_W24         Weller et al (2024)

  Oxygen buffers in this file (Weller et al, 2024): 

    fmq (fayalite-magnetite-quartz)
    nno (Ni-NiO)

-------

  Weller, OM, Holland, TJB, Soderman, CR, Green, ECR, Powell, R, 
    Beard, CD & Riel, N (2024). New Thermodynamic Models for Anhydrous
    Alkaline-Silicate Magmatic Systems. Journal of Petrology, 65,
    doi: 10.1093/petrology/egae098

  Holland, TJB, Green, ECR & Powell, R (2022). A thermodynamic model
    for feldspars in KAlSi3O8-NaAlSi3O8-CaAl2Si2O8 for mineral 
    equilibrium calculations. Journal of Metamorphic Geology, 40, 587-600, 
    doi: 10.1111/jmg.12639

  Tomlinson, EL & Holland, TJB (2021). A Thermodynamic Model for the
    Subsolidus Evolution and Melting of Peridotite. Journal of Petrology,
    62, doi: 10.1093/petrology/egab012

  Holland, TJB, Green, ECR & Powell, R (2018). Melting of Peridotites
    through to Granites: A Simple Thermodynamic Model in the System
    KNCFMASHTOCr. Journal of Petrology, 59, 881-900, 
    doi: 10.1093/petrology/egy048
 
-------

  "E-m" below refers to end-member(s).

  An "ordered" end-member is one that defines how elements are 
     distributed over mixing sites, rather than changing the 
     composition.

% ====================================================================
header

% ====================================================================
liq_W24d 14 2 silicate_melt 100  % dummy - no recalc info

verbatim
%-------------------------------------------------------------------
% Silicate melt (dry): NCKFMASTOCr
% 
% Weller, OM, Holland, TJB, Soderman, CR, Green, ECR, Powell, R, 
% Beard, CD & Riel, N (2024). New Thermodynamic Models for Anhydrous
% Alkaline-Silicate Magmatic Systems. Journal of Petrology, 65,
% doi: 10.1093/petrology/egae098
%
% E-m   	Formula        	Mixing sites		Ordered?
% 				M	F 
% q3L   	Si3O6		-	Si3
% sl1L   	Al2SiO5		Al	AlSi
% wo1L   	CaSiO3		Ca	Si
% fo2L   	Mg4Si2O8	Mg4	Si2
% fa2L   	Fe4Si2O8	Fe4	Si2
% nmL    	NaSi0.5O1.5	-	NaSi0.5
% hmL    	FeO1.5		-	Fe
% ekL    	CrO1.5		- 	Cr
% tiL    	TiO2		-	Ti
% kmL    	KSi0.5O1.5	-	KSi0.5        	
% anL    	CaAl2Si2O8	-	CaAl2Si2	y
% ab1L   	NaAlSi3O8	-	NaAlSi3		y
% kfL    	KAlSi3O8	-	KAlSi3		y
% enL    	Mg2Si2O6	-	Mg2Si2		y 
% 
% Composition variables:
%   wo ->  2 j (panL + pwo1L)
%   sl ->  j (pab1L + 2 panL + pkfL + 2 psl1L)
%   fo -> -j (penL + 2 pfo2L)
%   fa ->  2 j pfa2L 
%   ns ->  2 j (pab1L + pnmL) 
%   hm ->  2 j phmL
%   ek ->  2 j pekL 
%   ti ->  2 j ptiL 
%   ks ->  2 j (pkfL + pkmL)
%   where pxL is the proportion of end-member xL, and 
%          j = 3/(6 + 7 an1L + 6 anL - enL + 7 kfL)
% Order variables:
%   yan -> panL  
%   yab -> pab1L 
%   yen -> penL  
%   ykf -> pkfL  
% 
% -------------------------------------------------------------------
verbatim

wo(liq_W24d)   -
sl(liq_W24d)   -
fo(liq_W24d)   -
fa(liq_W24d)   -
ns(liq_W24d)   -
hm(liq_W24d)   -
ek(liq_W24d)   -
ti(liq_W24d)   -
ks(liq_W24d)   -
yan(liq_W24d)  -  ODvar
yab(liq_W24d)  -  ODvar
yen(liq_W24d)  -  ODvar
ykf(liq_W24d)  -  ODvar

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

p(q3L)  5  1    1  9 -1  wo  -1  sl -1  ns -1  fa -1 fo -1 hm -1 ek -1 ti -1 ks
	    2       0  1  1 yan       1  9 -1 ek -1 fa -1 fo -1 hm -1 ns -1 ks -1 sl -1 ti -1 wo
	    2       0  1  1/6 yab     3  9 -7 ek -7 fa -7 fo -7 hm -7 ns -7 ks -7 sl -7 ti -7 wo
	    2       0  1  1/6 yen    -3  9  1 ek  1 fa  1 fo  1 hm  1 ns  1 ks  1 sl  1 ti  1 wo
	    2       0  1  1/6 ykf     3  9 -7 ek -7 fa -7 fo -7 hm -7 ns -7 ks -7 sl -7 ti -7 wo

p(sl1L)  8  1    0  1  1  sl
	    2    0  1  1    yan   0 1 1 sl
	    2    0  1  7/6  yab   0 1 1 sl
	    2    0  1 -1/6  yen   0 1 1 sl
	    2    0  1  7/6  ykf   0 1 1 sl
	    1    0  1 -1    yan
	    1    0  1 -1/2  yab
	    1    0  1 -1/2  ykf
	    
p(wo1L)  6  1    0  1  1  wo
	    2    0  1  1    yan   0 1 1 wo
	    2    0  1  7/6  yab   0 1 1 wo
	    2    0  1 -1/6  yen   0 1 1 wo
	    2    0  1  7/6  ykf   0 1 1 wo
	    1    0  1 -1    yan
	    
p(fo2L)  6  1    0  1  1  fo
        2    0  1  1    yan   0 1 1 fo
	    2    0  1  7/6  yab   0 1 1 fo
	    2    0  1 -1/6  yen   0 1 1 fo
	    2    0  1  7/6  ykf   0 1 1 fo
	    1    0  1 -1/2  yen
	    
p(fa2L)  5  1    0  1  1  fa
        2    0  1  1    yan   0 1 1 fa
	    2    0  1  7/6  yab   0 1 1 fa
	    2    0  1  7/6  ykf   0 1 1 fa
	    2    0  1 -1/6  yen   0 1 1 fa
	    
p(nmL)  6  1    0  1  1  ns
        2    0  1  1    yan   0 1 1 ns
	    2    0  1  7/6  yab   0 1 1 ns
	    2    0  1  7/6  ykf   0 1 1 ns
	    1    0  1 -1    yab
	    2    0  1 -1/6  yen   0 1 1 ns

p(hmL)  5  1    0  1  1  hm
        2    0  1  1    yan   0 1 1 hm
	    2    0  1  7/6  yab   0 1 1 hm
	    2    0  1  7/6  ykf   0 1 1 hm
	    2    0  1 -1/6  yen   0 1 1 hm

p(ekL)  5  1    0  1  1  ek
        2    0  1  1    yan   0 1 1 ek
	    2    0  1  7/6  yab   0 1 1 ek
	    2    0  1  7/6  ykf   0 1 1 ek
	    2    0  1 -1/6  yen   0 1 1 ek

p(tiL)  5  1    0  1  1  ti
        2    0  1  1    yan   0 1 1 ti
	    2    0  1  7/6  yab   0 1 1 ti
	    2    0  1 -1/6  yen   0 1 1 ti
	    2    0  1  7/6  ykf   0 1 1 ti

p(kmL)  6  1    0  1  1  ks
        2    0  1  1    yan   0 1 1 ks
	    2    0  1  7/6  yab   0 1 1 ks
	    2    0  1 -1/6  yen   0 1 1 ks
	    2    0  1  7/6  ykf   0 1 1 ks
	    1    0  1 -1    ykf

p(anL)  1  1    0  1  1  yan
p(ab1L) 1  1    0  1  1  yab
p(enL)  1  1    0  1  1  yen
p(kfL)  1  1    0  1  1  ykf
% -------------------------------------------------------------------
   asf

   W(q3L,sl1L)   16.1   0  -0.10 
   W(q3L,wo1L)    6.8   0   0   
   W(q3L,fo2L)   43.1   0  -0.50  
   W(q3L,fa2L)   -7.6   0  -0.58  
   W(q3L,nmL)     1.1   0   0   
   W(q3L,hmL)    16.3   0   0  
   W(q3L,ekL)    -5.5   0   0   
   W(q3L,tiL)    12.1   0   0.40  
   W(q3L,kmL)     7.0   0   0.96  
   W(q3L,anL)    -6.7   0   0.02 
   W(q3L,ab1L)   -0.1   0   0  
   W(q3L,enL)    22.7   0  -0.41 
   W(q3L,kfL)   -10.2   0  -0.48 

   W(sl1L,wo1L) -24.6   0   0.85     
   W(sl1L,fo2L)   5.4   0  -0.16 
   W(sl1L,fa2L)   0.6   0   0  
   W(sl1L,nmL)  -12.4   0  -0.01   
   W(sl1L,hmL)   -7.0   0   0 
   W(sl1L,ekL)   -2.0   0   0 
   W(sl1L,tiL)    5.4   0   0         
   W(sl1L,kmL)  -33.0   0   0.07  
   W(sl1L,anL)    1.0   0   0 
   W(sl1L,ab1L) -10.1   0  -0.05 
   W(sl1L,enL)    8.3   0   0 
   W(sl1L,kfL)    4.8   0   0 

   W(wo1L,fo2L)  40.8   0   0  
   W(wo1L,fa2L)  12.4   0   0
   W(wo1L,nmL)    2.7   0  -0.14       
   W(wo1L,hmL)    1.2   0   0  
   W(wo1L,ekL)  -11.0   0   0  
   W(wo1L,tiL)    9.7   0   0          
   W(wo1L,kmL)    1.4   0  -0.07         
   W(wo1L,anL)    6.5   0   0         
   W(wo1L,ab1L)  -2.5   0   0         
   W(wo1L,enL)   18.3   0   0.09         
   W(wo1L,kfL)   13.6   0   0 

   W(fo2L,fa2L)  18.0   0  -0.16
   W(fo2L,nmL)   16.9   0  -0.12
   W(fo2L,hmL)   -2.5   0   0  
   W(fo2L,ekL)   -3.0   0   0  
   W(fo2L,tiL)   -6.0   0  -0.16 
   W(fo2L,kmL)   26.0   0   0.69  
   W(fo2L,anL)   -4.9   0   0 
   W(fo2L,ab1L)  12.9   0   0 
   W(fo2L,enL)    0.9   0   0.20 
   W(fo2L,kfL)   -1.2   0   0  

   W(fa2L,nmL)   1.5   0   0  
   W(fa2L,hmL) -27.7   0   0  
   W(fa2L,ekL)   4.2   0   0  
   W(fa2L,tiL)  -7.0   0   0        
   W(fa2L,kmL)  15.5   0   0   
   W(fa2L,anL)  -6.8   0   0  
   W(fa2L,ab1L)  4.4   0   0  
   W(fa2L,enL)   3.8   0   0  
   W(fa2L,kfL)  -7.9   0   0  

   W(nmL,hmL)  12.3   0   0  
   W(nmL,ekL)  -2.0   0   0  
   W(nmL,tiL)   9.9   0   0.14        
   W(nmL,kmL)  -8.5   0  -0.02 
   W(nmL,anL)  -9.2   0   0 
   W(nmL,ab1L) -1.1   0   0.13 
   W(nmL,enL)   1.4   0   0 
   W(nmL,kfL)  -7.5   0   0

   W(hmL,ekL)     0   0   0  
   W(hmL,tiL)  -1.4   0   0        
   W(hmL,kmL)   8.9   0   0 
   W(hmL,anL)   1.6   0   0 
   W(hmL,ab1L) -1.4   0   0 
   W(hmL,enL)   0.1   0   0 
   W(hmL,kfL)  -2.3   0   0 

   W(ekL,tiL)  -2.5   0   0 
   W(ekL,kmL)     0   0   0 
   W(ekL,anL)   0.5   0   0 
   W(ekL,ab1L) -2.0   0   0 
   W(ekL,enL)  -2.0   0   0 
   W(ekL,kfL)  -1.5   0   0 

   W(tiL,kmL)   4.8   0   0         
   W(tiL,anL)  -8.7   0   0  
   W(tiL,ab1L) -1.8   0   0  
   W(tiL,enL)   6.4   0   0         
   W(tiL,kfL) -10.0   0   0  

   W(kmL,anL)  17.7   0   0  
   W(kmL,ab1L) 19.8   0   0  
   W(kmL,enL)  -1.2   0   0  
   W(kmL,kfL)  29.8   0   0.46  

   W(anL,ab1L) -4.1   0   0  
   W(anL,enL)   0.5   0   0  
   W(anL,kfL)  12.9   0   0  

   W(ab1L,enL)  0.4   0   0  
   W(ab1L,kfL) 23.5   0   0   

   W(enL,kfL)   0.3   0   0  


q3L   100  0  0
sl1L  145  0  0
wo1L  145  0  0
fo2L  200  0  0
fa2L  200  0  0
nmL    85  0  0
hmL    50  0  0
ekL    50  0  0
tiL    50  0  0
kmL    85  0  0
anL   100  0  0
ab1L  100  0  0
enL   100  0  0
kfL   100  0  0
% -------------------------------------------------------------------

   18   

% macroscopic terms
   pq   5  1    1  9 -1  wo  -1  sl -1  ns -1  fa -1 fo -1 hm -1 ek -1 ti -1 ks
	    2       0  1  1 yan       1  9 -1 ek -1 fa -1 fo -1 hm -1 ns -1 ks -1 sl -1 ti -1 wo
	    2       0  1  1/6 yab     3  9 -7 ek -7 fa -7 fo -7 hm -7 ns -7 ks -7 sl -7 ti -7 wo
	    2       0  1  1/6 yen    -3  9  1 ek  1 fa  1 fo  1 hm  1 ns  1 ks  1 sl  1 ti  1 wo
	    2       0  1  1/6 ykf     3  9 -7 ek -7 fa -7 fo -7 hm -7 ns -7 ks -7 sl -7 ti -7 wo

   psl  8  1    0  1  1  sl
	    2    0  1  1    yan   0 1 1 sl
	    2    0  1  7/6  yab   0 1 1 sl
	    2    0  1 -1/6  yen   0 1 1 sl
	    2    0  1  7/6  ykf   0 1 1 sl
	    1    0  1 -1    yan
	    1    0  1 -1/2  yab
	    1    0  1 -1/2  ykf
	    
   pwo  6  1    0  1  1  wo
	    2    0  1  1    yan   0 1 1 wo
	    2    0  1  7/6  yab   0 1 1 wo
	    2    0  1 -1/6  yen   0 1 1 wo
	    2    0  1  7/6  ykf   0 1 1 wo
	    1    0  1 -1    yan
	    	    	    
   pns  6  1    0  1  1  ns
        2    0  1  1    yan   0 1 1 ns
	    2    0  1  7/6  yab   0 1 1 ns
	    2    0  1  7/6  ykf   0 1 1 ns
	    1    0  1 -1    yab
	    2    0  1 -1/6  yen   0 1 1 ns

   phm  5  1    0  1  1  hm
        2    0  1  1    yan   0 1 1 hm
	    2    0  1  7/6  yab   0 1 1 hm
	    2    0  1  7/6  ykf   0 1 1 hm
	    2    0  1 -1/6  yen   0 1 1 hm

   pek  5  1    0  1  1  ek
        2    0  1  1    yan   0 1 1 ek
	    2    0  1  7/6  yab   0 1 1 ek
	    2    0  1  7/6  ykf   0 1 1 ek
	    2    0  1 -1/6  yen   0 1 1 ek

   pti  5  1    0  1  1  ti
        2    0  1  1    yan   0 1 1 ti
	    2    0  1  7/6  yab   0 1 1 ti
	    2    0  1 -1/6  yen   0 1 1 ti
	    2    0  1  7/6  ykf   0 1 1 ti

   pks  6  1    0  1  1  ks
        2    0  1  1    yan   0 1 1 ks
	    2    0  1  7/6  yab   0 1 1 ks
	    2    0  1 -1/6  yen   0 1 1 ks
	    2    0  1  7/6  ykf   0 1 1 ks
	    1    0  1 -1    ykf
	    	    
   pab  1  1    0  1  1  yab
   pan  1  1    0  1  1  yan
   pen  1  1    0  1  1  yen
   pkf  1  1    0  1  1  ykf
  
   pol  6  1    0  2  1  fo 1 fa
        2    0  1  1    yan    0  2  1  fo  1  fa
        2    0  1  7/6  yab    0  2  1  fo  1  fa
        2    0  1  7/6  ykf    0  2  1  fo  1  fa
        2    0  1 -1/6  yen    0  2  1  fo  1  fa
	    1    0  1 -1/2  yen
	    
% microscopic terms 
   mgM   2 2      0  1  4  fo    1  4  1  yan  7/6 yab  7/6 ykf -1/6 yen   % 1 + Q
           1      0  1 -2  yen
   feM   1 2      0  1  4  fa    1  4  1  yan  7/6 yab  7/6 ykf -1/6 yen 
   CaM   2 2      0  1  1  wo    1  4  1  yan  7/6 yab  7/6 ykf -1/6 yen  
           1      0  1 -1  yan
   AlM   2 2      0  1  1  sl    1  4  1  yan  7/6 yab  7/6 ykf -1/6 yen 
	         1      0  3 -1  yan  -1/2  yab  -1/2  ykf
    
   sumM  2 2      0  4  4  fo  4  fa  1  sl  1 wo     1  4  1  yan  7/6 yab  7/6 ykf -1/6 yen
           1      0  4 -2  yan  -1/2  yab  -1/2  ykf -2  yen
% -------------------------------------------------------------------
% ideal mixing activities
   
 q3L      1  1      pq  1     
   make  1  qL 3
   delG(mod)    0.97   0   -0.076
      
 sl1L     1  3      psl 1 AlM 1  sumM -1  
   make  2  corL 1  qL  1
    delG(od)   -18.37   0  -0.246     

 wo1L     1  3      pwo 1 CaM 1  sumM -1  
   make  1  woL 1
   delG(mod)   -1.26   0   -0.047

 fo2L     1  3      pol 1  mgM  4  sumM -4
   make  1  foL 2
   delG(mod)  13.24  0  -0.142

 fa2L     1  3      pol 1  feM  4  sumM -4
   make  1  faL 2
   delG(mod)  12.57   0  -0.027

 nmL     1  1      pns 1
   make  3  neL  1  corL -1/2  qL -1/2
   delG(make)   49.09   -0.007   -0.171 

 hmL     1  1      phm  1
   make  1 hemL 1/2
   delG(mod)  5.90   0   -0.002 

 ekL     1  1      pek  1
   make  1 eskL 1/2
   delG(mod)  23.51   0   0.190   

 tiL     1  1      pti  1
   make  1  ruL 1
   delG(mod)   3.29   0    -0.228

 kmL     1  1      pks 1
   make  3  ksL  1  corL -1/2  qL -1/2
   delG(make)   72.05  -0.025   0.304     

 anL     1  1      pan 1
   make  3  woL  1  corL  1  qL 1
   delG(od)   -48.24  0  0.022    

 ab1L     1  1      pab 1
   make  2  neL  1  qL  2 
   delG(od)   18.29  -0.032  -0.342   

 enL     1  1      pen 1
   make  2  foL  1  qL  1 
   delG(od)  -13.17  0  -0.338    

 kfL     1  1      pkf 1
   make  2  ksL  1  qL  2 
   delG(od)   0.95  -0.020  -0.110
% ====================================================================


% ====================================================================
ol_H18  4  2  olivine 4

verbatim
% -------------------------------------------------------------------
% Olivine: CFMS
%
% Holland, TJB, Green, ECR & Powell, R (2018). Melting of Peridotites
% through to Granites: A Simple Thermodynamic Model in the System
% KNCFMASHTOCr. Journal of Petrology, 59, 881-900, 
% doi: 10.1093/petrology/egy048
% 
% E-m     Formula     Mixing sites			Ordered?
%                     M1            M2                  
%                     Mg    Fe      Mg    Fe    Ca      
% mont    CaMgSiO4    1     0       0     0     1       
% fa      Fe2SiO4     0     1       0     1     0       
% fo      Mg2SiO4     1     0       1     0     0       
% cfm     MgFeSiO4    1     0       0     1     0   	y
%            
% Composition variables:
%   x -> (xFeM1 + xFeM2)/(xFeM1 + xFeM2 + xMgM1 + xMgM2)    
%   c -> xCaM2
% Order variables:
%   Q -> x - xFeM1/(xFeM1 + xMgM1)
%         
% -------------------------------------------------------------------
verbatim 
 
x(ol_H18)   -
c(ol_H18)   -
Q(ol_H18)   -   ODvar  range -0.5 0.5

% -------------------------------------------------------------------
 
p(mont)    1 1    0  1  1  c
 
p(fa)      1 1    0  2  -1  Q   1  x
 
p(fo)      2 1    1  3  -1  c  -1  Q  -1  x
             2    0  1  1  c    0  1  1  x
 
p(cfm)     2 1    0  1  2  Q
             2    0  1  -1  c    0  1  1  x
% -------------------------------------------------------------------
sf
W(mont,fa)     24    0    0
W(mont,fo)     38    0    0
W(mont,cfm)    24    0    0
W(fa,fo)        9    0    0
W(fa,cfm)     4.5    0    0
W(fo,cfm)     4.5    0    0
 
% -------------------------------------------------------------------
5
 
xMgM1      1 1    1  2   1  Q  -1  x
 
xFeM1      1 1    0  2  -1  Q   1  x
 
xMgM2      2 1    1  3  -1  c  -1  Q  -1  x
             2    0  1  1  c    0  1  1  x
 
xFeM2      2 1    0  2   1  Q   1  x
             2    0  1  -1  c    0  1  1  x
 
xCaM2      1 1    0  1  1  c
% -------------------------------------------------------------------
 
mont    1   2  xMgM1 1  xCaM2 1  
  check 0  1  0  
 
fa      1   2  xFeM1 1  xFeM2 1  
  check 1  0  0  
 
fo      1   2  xMgM1 1  xMgM2 1  
  check 0  0  0  
 
cfm     1   2  xMgM1 1  xFeM2 1  
  check 1/2  0  1/2  
  make  2       fa  1/2   fo  1/2
  delG(od)       0    0    0
% ====================================================================


% ====================================================================
g_W24  6 2  garnet 12

verbatim
% -------------------------------------------------------------------
% Garnet: CFMASTOCr
%
% Weller, OM, Holland, TJB, Soderman, CR, Green, ECR, Powell, R, 
% Beard, CD & Riel, N (2024). New Thermodynamic Models for Anhydrous
% Alkaline-Silicate Magmatic Systems. Journal of Petrology, 65,
% doi: 10.1093/petrology/egae098
% 
% E-m    Formula             Mixing sites			
%                            M1            M2                    
%                            Mg  Fe  Ca    Al  Cr  Fe3 Mg  Ti    
% py    Mg3Al2Si3O12         3   0   0     2   0   0   0   0     
% alm   Fe3Al2Si3O12         0   3   0     2   0   0   0   0     
% gr    Ca3Al2Si3O12         0   0   3     2   0   0   0   0     
% andr  Ca3Fe2Si3O12         0   0   3     0   0   2   0   0     
% knor  Mg3Cr2Si3O12         3   0   0     0   2   0   0   0     
% tig   Mg3.5AlTi0.5Si3O12   3   0   0     1   0   0   1/2 1/2   
% 
% Composition variables:
%   x -> xFeM1/(xFeM1 + xMgM1)
%   c -> xCaM1
%   f -> xFe3M2
%   cr -> xCrM2
%   t -> xTiM2
%
% -------------------------------------------------------------------
verbatim
 
x(g_W24)     -
c(g_W24)     -
f(g_W24)     -
cr(g_W24)    -
t(g_W24)     -

% -------------------------------------------------------------------
 
p(py)      2 1    1  4  -1  c  -1  cr  -1  x  -4  t
             2    0  1  1  c    0  1  1  x
 
p(alm)     2 1    0  1   1  x
             2    0  1  -1  c    0  1  1  x
 
p(gr)      1 1    0  2   1  c  -1  f
 
p(andr)    1 1    0  1  1  f
 
p(knor)    1 1    0  1  1  cr
 
p(tig)     1 1    0  1  4  t

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

asf
W(py,alm)       4        0   0.1
W(py,gr)     45.4   -0.010   0.04
W(py,andr)    107   -0.010  -0.036
W(py,knor)    2.0        0   0
W(py,tig)       1        0   0

W(alm,gr)     17.0  -0.010   0.1
W(alm,andr)    65   -0.010   0.039
W(alm,knor)   8.2        0   0.01
W(alm,tig)      0  0  0

W(gr,andr)      2        0   0
W(gr,knor)    5.0   -0.010   0.180
W(gr,tig)      -3  0  0

W(andr,knor)   63   -0.010   0.10
W(andr,tig)    -1  0  0

W(knor,tig)     0  0  0

py   1    0  0
alm  1    0  0
gr   2.5  0  0
andr 2.5  0  0
knor 1    0  0
tig  1    0  0
% -------------------------------------------------------------------
8
 
xMgM1      2 1    1  2  -1  c  -1  x
             2    0  1  1  c    0  1  1  x
 
xFeM1      2 1    0  1   1  x
             2    0  1  -1  c    0  1  1  x
 
xCaM1      1 1    0  1  1  c
 
xAlM2      1 1    1  3  -1  cr  -1  f  -2  t
 
xCrM2      1 1    0  1  1  cr
 
xFe3M2     1 1    0  1  1  f
 
xMgM2      1 1    0  1  1  t
 
xTiM2      1 1    0  1  1  t

% -------------------------------------------------------------------
 
py      1    2  xMgM1 3  xAlM2 2  
  check 0  0  0  0  0  
 
alm     1    2  xFeM1 3  xAlM2 2  
  check 1  0  0  0  0  
 
gr      1    2  xCaM1 3  xAlM2 2  
  check 0  1  0  0  0  
 
andr    1    2  xCaM1 3  xFe3M2 2  
  check 0  1  1  0  0  
 
knor    1    2  xMgM1 3  xCrM2 2  
  check 0  0  0  1  0 
 
tig     8   4  xMgM1 3  xAlM2 1  xMgM2 1/2  xTiM2 1/2  
  check 0  0  0  0  1/4
  make  4  py  1  per 1/2  ru 1/2  cor -1/2
  delG(make)   42.3 -0.0173  0     % config S

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


% ====================================================================
spl_T21  8 2  spinel 4

verbatim
% -------------------------------------------------------------------
% Spinel: FMATOCr
%
% Tomlinson, EL & Holland, TJB (2021). A Thermodynamic Model for the
% Subsolidus Evolution and Melting of Peridotite. Journal of Petrology,
% 62, doi: 10.1093/petrology/egab012
% 
% E-m  Formula   Mixing sites							Ordered?
%                T                         M                                     
%                Mg    Fe    Al    Fe3     Mg    Fe    Al    Fe3   Cr    Ti      
% nsp  MgAl2O4   1     0     0     0       0     0     2     0     0     0      y  
% isp  MgAl2O4   0     0     1     0       1     0     1     0     0     0      y (inverse)
% nhc  FeAl2O4   0     1     0     0       0     0     2     0     0     0      y 
% ihc  FeAl2O4   0     0     1     0       0     1     1     0     0     0      y (inverse)
% nmt  Fe3O4     0     1     0     0       0     0     0     2     0     0      y 
% imt  Fe3O4     0     0     0     1       0     1     0     1     0     0      y (inverse)   
% picr MgCr2O4   1     0     0     0       0     0     0     0     2     0       
% usp  Fe2TiO4   0     1     0     0       0     1     0     0     0     1       
%
% Composition variables:
%   x -> (2 xFeM + xFeT)/(2 xFeM + xFeT + 2 xMgM + xMgT)
%   y -> (2 xFe3M + xFe3T)/(2 xAlM + xAlT + 2 xFe3M + xFe3T)
%   c -> xCrM
%   t -> 2 xTiM
% Order variables:
%   Q1 -> -xMgM + xMgT    
%   Q2 -> -xFeM + xFeT    
%   Q3 -> -xFe3M + xFe3T  
%
% -------------------------------------------------------------------
verbatim
  
x(spl_T21)   -
y(spl_T21)   -
c(spl_T21)   -
t(spl_T21)   -
Q1(spl_T21)  -  ODvar    range -1 1
Q2(spl_T21)  -  ODvar    range -1 1
Q3(spl_T21)  -  ODvar    range -1 1

% -------------------------------------------------------------------
 
p(nsp)     2 1    1/3  4  1/3  t  -1/3  x  -1  c  2/3  Q1
             2    0  1  -1/3  t    0  1  1  x
 
p(isp)     2 1    2/3  3  -2/3  Q1  2/3  t  -2/3  x
             2    0  1  -2/3  t    0  1  1  x
 
p(nhc)      4 1    0  5  1/3  x  -1/3  y  -1  t  2/3  Q2  2/3  Q3
             2    0  1  1/3  t    0  1  1  x
             2    0  1  1/3  c    0  1  1  y
             2    0  1  1/3  t    0  1  1  y
 
p(ihc)     4 1    0  5  -1  t  -2/3  Q2  -2/3  Q3  2/3  x  -2/3  y
             2    0  1  2/3  t    0  1  1  x
             2    0  1  2/3  c    0  1  1  y
             2    0  1  2/3  t    0  1  1  y
 
p(nmt)     3 1    0  2  1/3  y  -2/3  Q3
             2    0  1  -1/3  c    0  1  1  y
             2    0  1  -1/3  t    0  1  1  y
 
p(imt)     3 1    0  2  2/3  Q3  2/3  y
             2    0  1  -2/3  c    0  1  1  y
             2    0  1  -2/3  t    0  1  1  y
 
p(picr)    1 1    0  1  1  c
 
p(usp)     1 1    0  1  1  t
% -------------------------------------------------------------------
asf
W(nsp,isp)             -6.7         0         0
W(nsp,nhc)              3.6         0         0
W(nsp,ihc)             -9.8         0         0
W(nsp,nmt)             43.2         0         0
W(nsp,imt)             49.5         0         0
W(nsp,picr)           -38.4         0        -0.08
W(nsp,usp)             40.0         0         0
W(isp,nhc)              2.7         0         0
W(isp,ihc)             -3.5         0         0
W(isp,nmt)             36.8         0         0
W(isp,imt)             20.7         0         0
W(isp,picr)           -21.6         0        -0.08
W(isp,usp)             38.2         0         0
W(nhc,ihc)             -6.0         0         0
W(nhc,nmt)             17.5         0         0
W(nhc,imt)             51.6         0         0
W(nhc,picr)           -53.8         0         0
W(nhc,usp)             25.7         0         0         
W(ihc,nmt)             -4.1         0         0
W(ihc,imt)             10.0         0         0
W(ihc,picr)           -38.8         0         0
W(ihc,usp)             21.0         0         0  
W(nmt,imt)             18.1         0         0
W(nmt,picr)            12.1         0         0
W(nmt,usp)              5.2         0         0  
W(imt,picr)            -8.7         0         0
W(imt,usp)             21.5         0         0  
W(picr,usp)            15.0         0         0   % unconstrained

nsp    1  0  0
isp    1  0  0 
nhc    1  0  0 
ihc    1  0  0 
nmt    1  0  0 
imt    1  0  0 
picr   1  0  0 
usp  0.9  0  0 

% -------------------------------------------------------------------
10
 
xMgT       2 1    1/3  3  1/3  t  -1/3  x  2/3  Q1
             2    0  1  -1/3  t    0  1  1  x
 
xFeT       2 1    0  2  1/3  x  2/3  Q2
             2    0  1  1/3  t    0  1  1  x
 
xAlT       3 1    2/3  5  -1/3  t  -2/3  Q1  -2/3  Q2  -2/3  Q3  -2/3  y
             2    0  1  2/3  c    0  1  1  y
             2    0  1  2/3  t    0  1  1  y
 
xFe3T      3 1    0  2  2/3  Q3  2/3  y
             2    0  1  -2/3  c    0  1  1  y
             2    0  1  -2/3  t    0  1  1  y
 
xMgM       2 1    1/3  3  -1/3  Q1  1/3  t  -1/3  x
             2    0  1  -1/3  t    0  1  1  x
 
xFeM       2 1    0  2  -1/3  Q2  1/3  x
             2    0  1  1/3  t    0  1  1  x
 
xAlM       3 1    2/3  6  1/3  Q1  1/3  Q2  1/3  Q3  -1  c  -2/3  y  -5/6  t
             2    0  1  2/3  c    0  1  1  y
             2    0  1  2/3  t    0  1  1  y
 
xFe3M      3 1    0  2  -1/3  Q3  2/3  y
             2    0  1  -2/3  c    0  1  1  y
             2    0  1  -2/3  t    0  1  1  y
 
xCrM       1 1    0  1  1  c
 
xTiM       1 1    0  1  1/2  t
% -------------------------------------------------------------------
 
nsp      1    2  xMgT 1  xAlM 1  
  make 1 ordered sp 1
  delG(od)    0  0  0
  check 0  0  0  0  1  0  0  
 
isp     2    3  xAlT 1  xMgM 1/2  xAlM 1/2  
  make 1 ordered sp 1
  delG(od)    23.5  -0.00576303  0
  check 0  0  0  0  -1/2  0  0  
 
nhc      1    2  xFeT 1  xAlM 1  
  make 1 ordered herc 1
  delG(od)    0  0  0
  check 1  0  0  0  0  1  0  
 
ihc     2    3  xAlT 1  xFeM 1/2  xAlM 1/2  
  make 1 ordered herc 1
  delG(od)   23.6  -0.00576303  0
  check 1  0  0  0  0  -1/2  0  
 
nmt     1    2  xFeT 1  xFe3M 1  
  make 1 equilibrium  mt 1
  delG(od)     0.0  0.00576303   0     
  check 1  1  0  0  0  1  -1  
 
imt     2    3  xFe3T 1  xFeM 1/2  xFe3M 1/2  
  make 1 equilibrium mt 1
  delG(od)      0.3  0  0     %  nmt + 0.3 kJ  to get mt-wu-iron point at 1 bar
  check 1  1  0  0  0  -1/2  1/2  
 
picr     1    2  xMgT 1  xCrM 1  
  check 0  0  1  0  1  0  0
 
usp     2    3  xFeT 1  xFeM 1/2  xTiM 1/2  
  check 1  0  0  1  0  1/2  0  
% ====================================================================


% ====================================================================
fsp_H22  3  2  ternary_feldspar 8

verbatim
% -------------------------------------------------------------------
% Plagioclase (4TR model): NCKAS
%
% Holland, TJB, Green, ECR & Powell, R (2022). A thermodynamic model
% for feldspars in KAlSi3O8-NaAlSi3O8-CaAl2Si2O8 for mineral 
% equilibrium calculations. Journal of Metamorphic Geology, 40, 587-600, 
% 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  
%
% Composition variables:
%   ca -> xCaA
%   k -> xKA
%
% -------------------------------------------------------------------
verbatim

 ca(fsp_H22)   -
 k(fsp_H22)    -
    
% -------------------------------------------------------------------

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


% ====================================================================
cpx_W24  10 2  low-Na_clinopyroxene 6

verbatim
%-------------------------------------------------------------------
% Clinopyroxene: KNCFMASTOCr
%
% Weller, OM, Holland, TJB, Soderman, CR, Green, ECR, Powell, R, 
% Beard, CD & Riel, N (2024). New Thermodynamic Models for Anhydrous
% Alkaline-Silicate Magmatic Systems. Journal of Petrology, 65,
% doi: 10.1093/petrology/egae098
% 
% E-m   Formula          Mixing sites
%                        M1                        M2                    T*         Ordered?
%                        Mg  Fe  Al  Fe3 Cr  Ti    Mg  Fe  Ca  Na  K     Si  Al    
% di    CaMgSi2O6        1   0   0   0   0   0     0   0   1   0   0     2   0     
% cfs   Fe2Si2O6         0   1   0   0   0   0     0   1   0   0   0     2   0     
% cats  CaAl2SiO6        0   0   1   0   0   0     0   0   1   0   0     1   1     
% crdi  CaCrAlSiO6       0   0   0   0   1   0     0   0   1   0   0     1   1     
% cess  CaFeAlSiO6       0   0   0   1   0   0     0   0   1   0   0     1   1     
% cbuf  Ca1.5AlTi0.5SiO6 1/2 0   0   0   0   1/2   0   0   1   0   0     1   1     
% jd    NaAlSi2O6        0   0   1   0   0   0     0   0   0   1   0     2   0     
% cen   Mg2Si2O6         1   0   0   0   0   0     1   0   0   0   0     2   0     
% cfm   MgFeSi2O6        1   0   0   0   0   0     0   1   0   0   0     2   0     y
% kjd   KAlSi2O6         0   0   1   0   0   0     0   0   0   0   1     2   0 
% *use 1/4 entropy of mixing from T-site      
%
% Composition variables:
%   x -> (xFeM1 + xFeM2)/(xFeM1 + xFeM2 + xMgM1 + xMgM2)
%   y -> 2 xAlT
%   o -> xFeM2 + xMgM2
%   n -> xNaM2    
%   f -> xFe3M1
%   t -> xTiM1
%   cr -> xCrM1
%   k -> xKM2
% Order variables:
%   Q -> -x + xFeM1/(xFeM1 + xMgM1)
%
%-------------------------------------------------------------------
verbatim
 
x(cpx_W24)   -
y(cpx_W24)   -   range  0  2
o(cpx_W24)   -
n(cpx_W24)   -
f(cpx_W24)   -
t(cpx_W24)   -
cr(cpx_W24)  -
k(cpx_W24)   -
Q(cpx_W24)   -   ODvar  range -1 1

%-------------------------------------------------------------------
 
p(di)      1 1    1  4  -1  k  -1  n  -1  o  -1  y
 
p(cfs)     9 1    0  2   1  Q   1  x
             2    0  1  -1  k    0  1  1  Q
             2    0  1  -1  n    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  -1  k    0  1  1  x
             2    0  1  -1  n    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
p(cats)    1 1    0  4  -1  cr  -1  f   1  y  -2  t
 
p(crdi)    1 1    0  1  1  cr
 
p(cess)    1 1    0  1  1  f
 
p(cbuf)     1 1    0  1  2  t
 
p(jd)      1 1    0  1  1  n
 
p(cen)     6 1    0  2   1  o   1  Q
             2    0  1  -1  k    0  1  1  Q
             2    0  1  -1  n    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  -1  o    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
 
p(cfm)     10 1    0  2  -1  x  -2  Q
             2    0  1  2  k    0  1  1  Q
             2    0  1  2  n    0  1  1  Q
             2    0  1  -2  Q    0  1  1  t
             2    0  1  1  k    0  1  1  x
             2    0  1  1  n    0  1  1  x
             2    0  1  1  o    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  2  Q    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
p(kjd)     1 1    0  1  1  k
% -------------------------------------------------------------------
asf
W(di,cfs)    25.8  0  -0.03
W(di,cats)   13.0  0  -0.06
W(di,crdi)      8  0   0
W(di,cess)      8  0   0
W(di,cbuf)      8  0   0    
W(di,jd)       26  0   0
W(di,cen)    29.8  0  -0.03
W(di,cfm)    20.6  0  -0.03
W(di,kjd)      26  0   0

W(cfs,cats)     25  0  -0.1
W(cfs,crdi)   38.3  0   0   %  24 - x,  x = -14.3
W(cfs,cess)   43.3  0   0   %  24 - y,  y = -19.3
W(cfs,cbuf)     24  0   0   
W(cfs,jd)       24  0   0
W(cfs,cen)     2.3  0   0
W(cfs,cfm)     3.5  0   0
W(cfs,kjd)      24  0   0

W(cats,crdi)    2  0   0
W(cats,cess)    2  0   0
W(cats,cbuf)    6  0   0    
W(cats,jd)      6  0   0
W(cats,cen)  45.2  0  -0.35
W(cats,cfm)    27  0  -0.1
W(cats,kjd)     6  0   0

W(crdi,cess)    2  0   0
W(crdi,cbuf)    6  0   0    
W(crdi,jd)      3  0   0
W(crdi,cen)  52.3  0   0   %  38 - x
W(crdi,cfm)  40.3  0   0   %  26 - x
W(crdi,kjd)     3  0   0

W(cess,cbuf)    6  0   0    
W(cess,jd)      3  0   0
W(cess,cen)  57.3  0   0   %  38 - y
W(cess,cfm)  45.3  0   0   %  26 - y
W(cess,kjd)     3  0   0

W(cbuf,jd)     16  0   0    
W(cbuf,cen)    24  0   0    
W(cbuf,cfm)    22  0   0    
W(cbuf,kjd)    16  0   0    

W(jd,cen)      40  0   0
W(jd,cfm)      26  0   0
W(jd,kjd)      28  0   0

W(cen,cfm)      4  0   0
W(cen,kjd)     40  0   0

W(cfm,kjd)     40  0   0


di    1.2  0  0
cfs   1.0  0  0
cats  1.9  0  0
crdi  1.9  0  0
cess  1.9  0  0
cbuf  1.9  0  0
jd    1.2  0  0
cen   1.0  0  0
cfm   1.0  0  0
kjd   1.2  0  0
% -------------------------------------------------------------------
13
 
xMgM1      9 1    1  6  -1  k  -1  n  -1  Q   1  t  -1  x  -1  y
             2    0  1  1  k    0  1  1  Q
             2    0  1  1  n    0  1  1  Q
             2    0  1  -1  Q    0  1  1  t
             2    0  1  1  k    0  1  1  x
             2    0  1  1  n    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  1  Q    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
xFeM1      9 1    0  2   1  Q   1  x
             2    0  1  -1  k    0  1  1  Q
             2    0  1  -1  n    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  -1  k    0  1  1  x
             2    0  1  -1  n    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
xAlM1      1 1    0  6  -1  cr  -1  f   1  k   1  n   1  y  -2  t
 
xFe3M1     1 1    0  1  1  f
 
xCrM1      1 1    0  1  1  cr
 
xTiM1      1 1    0  1  1  t
 
xMgM2      6 1    0  2   1  o   1  Q
             2    0  1  -1  k    0  1  1  Q
             2    0  1  -1  n    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  -1  o    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
 
xFeM2      6 1    0  1  -1  Q
             2    0  1  1  k    0  1  1  Q
             2    0  1  1  n    0  1  1  Q
             2    0  1  -1  Q    0  1  1  t
             2    0  1  1  o    0  1  1  x
             2    0  1  1  Q    0  1  1  y
 
xCaM2      1 1    1  3  -1  k  -1  n  -1  o
 
xNaM2      1 1    0  1  1  n
 
xKM2       1 1    0  1  1  k
 
xSiT       1 1    1  1  -1/2  y
 
xAlT       1 1    0  1  1/2  y
% -------------------------------------------------------------------
 
di      1    3  xMgM1 1  xCaM2 1  xSiT 1/2  
 
cfs     1    3  xFeM1 1  xFeM2 1  xSiT 1/2  
  make 1 fs 1
  delG(tran)    2.1      -0.002      0.045
 
cats    1.4142    4  xAlM1 1  xCaM2 1  xSiT 1/4  xAlT 1/4  
 
crdi    1.4142    4  xCrM1 1  xCaM2 1  xSiT 1/4  xAlT 1/4  
  make   3  equilibrium  cats  1  kos  1  jd -1
  delG(make)  4.85  0  0        
 
cess    1.4142    4  xFe3M1 1  xCaM2 1  xSiT 1/4  xAlT 1/4  
  make  3  equilibrium   cats  1   acm  1    jd  -1
  delG(make)  -3.46  0  0        
 
cbuf     2.8284   5  xMgM1 1/2  xTiM1 1/2  xCaM2 1  xSiT 1/4  xAlT 1/4  
  make  4   equilibrium   cats  1   per  1/2    ru  1/2  cor -1/2
  delG(make)   -20.89   -0.0012    0.248       
 
jd      1    3  xAlM1 1  xNaM2 1  xSiT 1/2  
 
cen     1    3  xMgM1 1  xMgM2 1  xSiT 1/2  
  make 1 en 1
  delG(tran)  3.5         -0.002       0.048  
 
cfm     1    3  xMgM1 1  xFeM2 1  xSiT 1/2  
  make  2       en  1/2   fs  1/2
  delG(od)   -1.6     -0.002      0.0465    
 
kjd     1    3  xAlM1 1  xKM2 1  xSiT 1/2  
  make  3  jd 1  abh -1  equilibrium san 1
  delG(make)   10.82   0  0.60

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


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

opx_W24  9 2  orthopyroxene  6

verbatim
% -------------------------------------------------------------------
% Orthopyroxene: NCFMASTOCr
%
% Weller, OM, Holland, TJB, Soderman, CR, Green, ECR, Powell, R, 
% Beard, CD & Riel, N (2024). New Thermodynamic Models for Anhydrous
% Alkaline-Silicate Magmatic Systems. Journal of Petrology, 65,
% doi: 10.1093/petrology/egae098
% 
% E-m   Formula          Mixing sites
%                        M1                        M2                T*        Ordered?
%                        Mg  Fe  Al  Fe3 Cr  Ti    Mg  Fe  Ca  Na    Si  Al    
% en    Mg2Si2O6         1   0   0   0   0   0     1   0   0   0     2   0     
% fs    Fe2Si2O6         0   1   0   0   0   0     0   1   0   0     2   0     
% fm    MgFeSi2O6        1   0   0   0   0   0     0   1   0   0     2   0     y  
% odi   CaMgSi2O6        1   0   0   0   0   0     0   0   1   0     2   0     
% mgts  MgAl2SiO6        0   0   1   0   0   0     1   0   0   0     1   1     
% cren  MgCrAlSiO6       0   0   0   0   1   0     1   0   0   0     1   1     
% obuf  Mg1.5AlTi0.5SiO6 1/2 0   0   0   0   1/2   1   0   0   0     1   1     
% mess  MgFeAlSiO6       0   0   0   1   0   0     1   0   0   0     1   1     
% ojd   NaAlSi2O6        0   0   1   0   0   0     0   0   0   1     2   0   
% *use 1/4 entropy of mixing from T-site  
%
% Composition variables:
%   x -> (xFeM1 + xFeM2)/(xFeM1 + xFeM2 + xMgM1 + xMgM2) 
%   y -> 2 xAlT
%   c -> xCaM2
%   j -> xNaM2
%   f -> xFe3M1
%   t -> xTiM1
%   cr -> xCrM1
% Order variables:
%   Q -> -x + xFeM1/(xFeM1 + xMgM1)
%
% -------------------------------------------------------------------
verbatim
 
x(opx_W24)   -
y(opx_W24)   -  range  0  2
c(opx_W24)   -
j(opx_W24)   -
f(opx_W24)   -
t(opx_W24)   -
cr(opx_W24)  - 
Q(opx_W24)   -  ODvar   range -1 1
 
% -------------------------------------------------------------------
 
p(en)      6 1    1  5  -1  c  -1  j   1  Q  -1  x  -1  y
             2    0  1  -1  j    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  1  c    0  1  1  x
             2    0  1  1  j    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
 
p(fs)      7 1    0  2   1  Q   1  x
             2    0  1  -1  j    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  -1  j    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
p(fm)      7 1    0  1  -2  Q
             2    0  1  2  j    0  1  1  Q
             2    0  1  -2  Q    0  1  1  t
             2    0  1  -1  c    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  2  Q    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
p(odi)     1 1    0  1  1  c
 
p(mgts)    1 1    0  4  -1  cr  -1  f   1  y  -2  t
 
p(cren)    1 1    0  1  1  cr
 
p(obuf)    1 1    0  1  2  t
 
p(mess)    1 1    0  1  1  f
 
p(ojd)     1 1    0  1  1  j
% -------------------------------------------------------------------
asf
W(en,fs)        7.0  0   0
W(en,fm)        3.5  0   0
W(en,odi)      29.0  0   0.15 
W(en,mgts)     12.5  0  -0.04
W(en,cren)        8  0   0
W(en,obuf)        6  0   0     
W(en,mess)        8  0   0
W(en,ojd)        35  0   0
W(fs,fm)        4.5  0   0
W(fs,odi)        23  0   0.08 
W(fs,mgts)       11  0  -0.15
W(fs,cren)       10  0   0
W(fs,obuf)        7  0   0     
W(fs,mess)       10  0   0
W(fs,ojd)        35  0   0
W(fm,odi)        19  0   0.08 
W(fm,mgts)       15  0  -0.15
W(fm,cren)       12  0   0
W(fm,obuf)        8  0   0    
W(fm,mess)       12  0   0
W(fm,ojd)        35  0   0
W(odi,mgts)    75.5  0  -0.84
W(odi,cren)      20  0   0     
W(odi,obuf)      40  0   0     
W(odi,mess)      20  0   0       
W(odi,ojd)       35  0   0
W(mgts,cren)      2  0   0
W(mgts,obuf)     10  0   0   
W(mgts,mess)      2  0   0
W(mgts,ojd)       7  0   0
W(cren,obuf)      6  0   0    
W(cren,mess)      2  0   0
W(cren,ojd)     -11  0   0     
W(obuf,mess)      6  0   0    
W(obuf,ojd)      20  0   0    
W(mess,ojd)     -11  0   0     

en   1.0  0  0
fs   1.0  0  0
fm   1.0  0  0
odi  1.2  0  0
mgts 1.0  0  0
cren 1.0  0  0
obuf 1.0  0  0
mess 1.0  0  0
ojd  1.2  0  0
% -------------------------------------------------------------------
12
 
xMgM1      7 1    1  5  -1  j  -1  Q   1  t  -1  x  -1  y
             2    0  1  1  j    0  1  1  Q
             2    0  1  -1  Q    0  1  1  t
             2    0  1  1  j    0  1  1  x
             2    0  1  -1  t    0  1  1  x
             2    0  1  1  Q    0  1  1  y
             2    0  1  1  x    0  1  1  y
 
xFeM1      7 1    0  2   1  Q   1  x
             2    0  1  -1  j    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  -1  j    0  1  1  x
             2    0  1  1  t    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
             2    0  1  -1  x    0  1  1  y
 
xAlM1      1 1    0  5  -1  cr  -1  f   1  j   1  y  -2  t
 
xFe3M1     1 1    0  1  1  f
 
xCrM1      1 1    0  1  1  cr
 
xTiM1      1 1    0  1  1  t
 
xMgM2      6 1    1  4  -1  c  -1  j   1  Q  -1  x
             2    0  1  -1  j    0  1  1  Q
             2    0  1  1  Q    0  1  1  t
             2    0  1  1  c    0  1  1  x
             2    0  1  1  j    0  1  1  x
             2    0  1  -1  Q    0  1  1  y
 
xFeM2      6 1    0  2  -1  Q   1  x
             2    0  1  1  j    0  1  1  Q
             2    0  1  -1  Q    0  1  1  t
             2    0  1  -1  c    0  1  1  x
             2    0  1  -1  j    0  1  1  x
             2    0  1  1  Q    0  1  1  y
 
xCaM2      1 1    0  1  1  c
 
xNaM2      1 1    0  1  1  j
 
xSiT       1 1    1  1  -1/2  y
 
xAlT       1 1    0  1  1/2  y
% -------------------------------------------------------------------
 
en      1    3  xMgM1 1  xMgM2 1  xSiT 1/2  
 
fs      1    3  xFeM1 1  xFeM2 1  xSiT 1/2  
 
fm      1    3  xMgM1 1  xFeM2 1  xSiT 1/2  
  make  2  en 1/2  fs 1/2
  delG(od)   -6.6  0  0
 
odi     1    3  xMgM1 1  xCaM2 1  xSiT 1/2  
  make  1  di  1
  delG(tran)   2.80   0   0.005 
 
mgts    1.4142    4  xAlM1 1  xMgM2 1  xSiT 1/4  xAlT 1/4  
 
cren    1.4142    4  xCrM1 1  xMgM2 1  xSiT 1/4  xAlT 1/4  
  make  5  en  1  equilibrium cats  1  kos  1  jd  -1  di  -1  
  delG(make) -6  0  0.14     
 
obuf     2.8284   5  xMgM1 1/2  xTiM1 1/2  xMgM2 1  xSiT 1/4  xAlT 1/4  
  make  4       mgts  1   per  1/2    ru  1/2  cor -1/2
  delG(make)   -3.91  -0.0051    0.37      
 
mess     1.4142    4  xFe3M1 1  xMgM2 1  xSiT 1/4  xAlT 1/4  
  make  3       mgts  1   acm  1    jd  -1
  delG(make)     3  0  0         
 
ojd     1    3  xAlM1 1  xNaM2 1  xSiT 1/2  
  make  1    jd  1 
  delG(tran)    18.20  0  0        
   
% ====================================================================


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

ilm_W24  5  2   ilmenite  3

verbatim
% -------------------------------------------------------------------
% Ilmenite:FMTO 
%
% Weller, OM, Holland, TJB, Soderman, CR, Green, ECR, Powell, R, 
% Beard, CD & Riel, N (2024). New Thermodynamic Models for Anhydrous
% Alkaline-Silicate Magmatic Systems. Journal of Petrology, 65,
% doi: 10.1093/petrology/egae098
% 
% E-m    Formula        Mixing sites					  Ordered?
%                       A                         B                         
%        		Fe    Ti    Fe3   Mg      Fe    Ti    Fe3   Mg    y   
% oilm   FeTiO3		1     0     0     0       0     1     0     0       
% dilm   FeTiO3		1/2   1/2   0     0       1/2   1/2   0     0       
% hem    Fe2O3		0     0     1     0       0     0     1     0       
% ogk    MgTiO3		0     0     0     1       0     1     0     0     y  
% dgk    MgTiO3		0     1/2   0     1/2     0     1/2   0     1/2     
%
% Composition variables:
%   i -> 1 - xFe3A
%   m -> (xMgA + xMgB)/(xFeA + xFeB + xMgA + xMgB)
% Order variables:      
%   Q -> xFeA - xFeB     
%   Qt -> -xTiA + xTiB   
%
% -------------------------------------------------------------------
verbatim 
 
i(ilm_W24)   -
m(ilm_W24)   -
Q(ilm_W24)   -   range -1 1
Qt(ilm_W24)  -   range -1 1

% -------------------------------------------------------------------
 
p(oilm)    1 1    0  1  1  Q
 
p(dilm)    2 1    0  2   1  i  -1  Q
             2    0  1  -1  i    0  1  1  m
 
p(hem)     1 1    1  1  -1  i
 
p(ogk)     1 1    0  2  -1  Q   1  Qt
 
p(dgk)     2 1    0  2   1  Q  -1  Qt
             2    0  1  1  i    0  1  1  m
% -------------------------------------------------------------------
sf
W(oilm,dilm)             7.05        0         0.13
W(oilm,hem)             14.3         0         0
W(oilm,ogk)             -7.6         0         0
W(oilm,dgk)              0.6         0         0
W(dilm,hem)              7.25        0        -0.13
W(dilm,ogk)             -5.5         0         0
W(dilm,dgk)             -2.2         0         0
W(hem,ogk)              12.5         0         0
W(hem,dgk)               2.7         0         0
W(ogk,dgk)               8.3         0         0
 
% -------------------------------------------------------------------
8
 
xFeA       2 1    0  2  1/2  i  1/2  Q
             2    0  1  -1/2  i    0  1  1  m
 
xTiA       1 1    0  2  1/2  i  -1/2  Qt
 
xFe3A      1 1    1  1  -1  i
 
xMgA       2 1    0  2  -1/2  Q  1/2  Qt
             2    0  1  1/2  i    0  1  1  m
 
xFeB       2 1    0  2  1/2  i  -1/2  Q
             2    0  1  -1/2  i    0  1  1  m
 
xTiB       1 1    0  2  1/2  i  1/2  Qt
 
xFe3B      1 1    1  1  -1  i
 
xMgB       2 1    0  2  1/2  Q  -1/2  Qt
             2    0  1  1/2  i    0  1  1  m
% -------------------------------------------------------------------
 
oilm    1   2  xFeA 1/2  xTiB 1/2  
  check 1  0  1  1  
  make  1   ordered   ilm    1
  delG(od)    0  0  0
 
dilm    2  4  xFeA 1/4  xTiA 1/4  xFeB 1/4  xTiB 1/4  
  check 1  0  0  0  
  make  1   disordered   ilm    1
  delG(od)     0  0  0
 
hem     1   2  xFe3A 1/2  xFe3B 1/2  
  check 0  0  0  0  
 
ogk     1   2  xMgA 1/2  xTiB 1/2 
  check 1  1  0  1  
  make  1   ordered   geik    1
  delG(od)   0  0  0
 
dgk     2   4  xTiA 1/4  xMgA 1/4  xTiB 1/4  xMgB 1/4  
  check 1  1  0  0  
  make  1   disordered   geik    1
  delG(od)   0  0  0
% ====================================================================


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

nph_W24  6  2   nepheline  16

verbatim
% -------------------------------------------------------------------
% Nepheline: NCKASO
% 
% Weller, OM, Holland, TJB, Soderman, CR, Green, ECR, Powell, R, 
% Beard, CD & Riel, N (2024). New Thermodynamic Models for Anhydrous
% Alkaline-Silicate Magmatic Systems. Journal of Petrology, 65,
% doi: 10.1093/petrology/egae098
% 
% E-m  Formula        	Mixing sites
%        		A1                  A2                  T2                  Ordered?
%         		Na    K     Ca      Na    K     v       Al    Si    Fe3     
% neN  Na4Al4Si4O16	3     0     0       1     0     0       4     0     0        
% neS  Na3Al3Si5O16  	3     0     0       0     0     1       3     1     0     
% neK  K4Al4Si4O16 	0     3     0       0     1     0       4     0     0    
% neO  Na3KAl4Si4O16  	3     0     0       0     1     0       4     0     0       y    
% neC  Na2CaAl4Si4O16	2     0     1       0     0     1       4     0     0       
% neF  Na4Fe4Si4O16 	3     0     0       1     0     0       0     0     4       
%
% Composition variables:
%   k -> (3 xKA1 + xKA2)/(3 xKA1 + xKA2 + 3 xNaA1 + xNaA2)
%   s -> xvA2
%   f -> xFe3T2
%   c -> xCaA1

% Order variables:
%   Q -> -xKA1 + xKA2
%
% -------------------------------------------------------------------
verbatim 
 
k(nph_W24)   -
s(nph_W24)   -
f(nph_W24)   -
c(nph_W24)   -
Q(nph_W24)   -  ODvar  range -1 1

% -------------------------------------------------------------------
 
p(neN)     3 1    1  4  -1  f  -1  k  -1  s  -3/4  Q
             2    0  1  3/4  c    0  1  1  k
             2    0  1  1/4  k    0  1  1  s
 
p(neS)     1 1    0  2   1  s  -3  c
 
p(neK)     3 1    0  2  -1/4  Q   1  k
             2    0  1  -3/4  c    0  1  1  k
             2    0  1  -1/4  k    0  1  1  s
 
p(neO)     1 1    0  1  1  Q
 
p(neC)     1 1    0  1  3  c
 
p(neF)     1 1    0  1  1  f
% -------------------------------------------------------------------
asf
W(neN,neS)         21.9         0        -0.92
W(neN,neK)        112.8         0        -0.03
W(neN,neO)         11.4         0        -0.03
W(neN,neC)         22.0         0         0
W(neN,neF)          0.0         0         0
W(neS,neK)         79.7         0         0
W(neS,neO)         25.2         0         0
W(neS,neC)          5.0         0         0
W(neS,neF)          23          0         0
W(neK,neO)         59.4         0         0.17
W(neK,neC)          100         0         0
W(neK,neF)           80         0         0
W(neO,neC)           50         0         0
W(neO,neF)          13          0         0
W(neC,neF)          27          0         0

a(neN)              1.187       0         0
a(neS)              1.0         0         0
a(neK)              1.0         0         0
a(neO)              0.995       0         0
a(neC)              1.0         0         0
a(neF)              1.0         0         0
 
% -------------------------------------------------------------------
9
 
xNaA1      3 1    1  3  1/4  Q  -1  c  -1  k
             2    0  1  3/4  c    0  1  1  k
             2    0  1  1/4  k    0  1  1  s
 
xKA1       3 1    0  2  -1/4  Q   1  k
             2    0  1  -3/4  c    0  1  1  k
             2    0  1  -1/4  k    0  1  1  s
 
xCaA1      1 1    0  1  1  c
 
xNaA2      3 1    1  3  -1  k  -1  s  -3/4  Q
             2    0  1  3/4  c    0  1  1  k
             2    0  1  1/4  k    0  1  1  s
 
xKA2       3 1    0  2   1  k  3/4  Q
             2    0  1  -3/4  c    0  1  1  k
             2    0  1  -1/4  k    0  1  1  s
 
xvA2       1 1    0  1  1  s
 
xAlT2      1 1    1  3  -1/4  s  -1  f  3/4  c
 
xSiT2      1 1    0  2  1/4  s  -3/4  c
 
xFe3T2     1 1    0  1  1  f
% -------------------------------------------------------------------
 
neN     1   3  xNaA1 3  xNaA2 1  xAlT2 2  
  make 1  equilibrium ne  4
  delG(mod)  0.45  0.004  0  
 
neS     3.0792  4  xNaA1 3  xvA2 1  xAlT2 3/2  xSiT2 1/2  
  make 2  equilibrium ne  3  trd  2
   delG(make)  -20.60  0.0020  -0.145  
 
neK     1   3  xKA1 3  xKA2 1  xAlT2 2  
  make 1 kls 4
  delG(tran)   1.20  -0.0005   0.008     

neO     1   3  xNaA1 3  xKA2 1  xAlT2 2  
  make  2   equilibrium ne  3  kls 1
  delG(od)     -1.10    0    -0.070
 
neC     6.75 4  xNaA1 2  xCaA1 1  xvA2 1  xAlT2 2  
  make 2  equilibrium ne  2 equilibrium an 1
  delG(make)  0.0  0  1.067   
 
neF     1   3  xNaA1 3  xNaA2 1  xFe3T2 2  
  make 3  equilibrium ne  4  acm  4   jd  -4
  delG(make)  167  0  0    
% ====================================================================

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

kals_W24  2   2   kalsilite  4

verbatim
% -------------------------------------------------------------------
% Kalsilite: NKAS
%
% Weller, OM, Holland, TJB, Soderman, CR, Green, ECR, Powell, R, 
% Beard, CD & Riel, N (2024). New Thermodynamic Models for Anhydrous
% Alkaline-Silicate Magmatic Systems. Journal of Petrology, 65,
% doi: 10.1093/petrology/egae098
%
% E-m  Formula        	Mixing sites
%        		A               
%         		Na    K    
% nks  NaAlSiO4 	1     0
% kls  KAlSiO4	 	0     1     
% 
% Composition variables:
% k -> xKA
%
% -------------------------------------------------------------------
verbatim

k(kals_W24)  -

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

p(nks)    1  1    1  1 -1  k
p(kls)    1  1    0  1  1  k
% -------------------------------------------------------------------
   asf

   W(nks,kls)        14.4  0  -0.06
  
  a(nks)  1.235  0  0
  a(kls)  1.00   0  0    

% -------------------------------------------------------------------
   2   
         
   xKA    1  1    0    1  1  k
   xNaA   1  1    1    1 -1  k
   
% -------------------------------------------------------------------
% Al-avoidance mixing activities 
   
 nks        1  1      xNaA  1 
   make  1  equilibrium ne 1
   delG(tran)   3.17   0.0025  -0.115   
  
 kls         1  1      xKA   1    
 
% ====================================================================

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

lct_W24  2   2   leucite  6

verbatim
%-------------------------------------------------------------------
% Leucite: NKAS
%
% Weller, OM, Holland, TJB, Soderman, CR, Green, ECR, Powell, R, 
% Beard, CD & Riel, N (2024). New Thermodynamic Models for Anhydrous
% Alkaline-Silicate Magmatic Systems. Journal of Petrology, 65,
% doi: 10.1093/petrology/egae098
%
% E-m  Formula        	Mixing sites	
%        		A               
%         		Na    K     		
% nlc  NaAlSi2O6 	1     0
% lc   KAlSi2O6 	0     1    
% 
% Composition variables:
%   n -> xNaA
%
% -------------------------------------------------------------------
verbatim

n(lct_W24)   -

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

  p(nlc)    1  1    0  1  1  n
  p(lc)     1  1    1  1 -1  n

% -------------------------------------------------------------------
  asf

  W(nlc,lc)        14.5  0  0
  
  a(nlc)  0.95   0  0
  a(lc)   1.00   0  0    
% -------------------------------------------------------------------
   2   
         
   xNaA    1  1    0  1  1  n
   xKA     1  1    1  1 -1  n
   
% -------------------------------------------------------------------
% Al-avoidance mixing activities 
   
 nlc        1  1      xNaA  1 
  make  3  equilibrium lc 1   equilibrium ab 1  equilibrium san -1
  delG(make)   16.6  0  0   
  
 lc         1  1      xKA   1     

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

% ====================================================================
mel_W24  5  2  melilite  7

verbatim
%-------------------------------------------------------------------
% Melilite: NCFMASO
% 
% Weller, OM, Holland, TJB, Soderman, CR, Green, ECR, Powell, R, 
% Beard, CD & Riel, N (2024). New Thermodynamic Models for Anhydrous
% Alkaline-Silicate Magmatic Systems. Journal of Petrology, 65,
% doi: 10.1093/petrology/egae098
%
% E-m  Formula        	Mixing sites
%         		M1            T1                        T2           
%        		Na    Ca      Mg    Fe    Al    Fe3     Al    Si      
% geh  Ca2Al2SiO7   	0     2       0     0     1     0       1     1       
% ak   Ca2MgSi2O7 	0     2       1     0     0     0       0     2       
% fak  Ca2FeSi2O7	0     2       0     1     0     0       0     2       
% nml  NaCaAl2SiO7   	1     1       0     0     1     0       0     2       
% fge  Ca2FeAlSiO7  	0     2       0     0     0     1       1     1       
%
% Composition variables:
%   x ->  xFeT1/(xFeT1 + xMgT1)
%   n -> xNaM1
%   y -> xAlT1
%   f -> xFe3T1
% -------------------------------------------------------------------
verbatim
 
x(mel_W24)  -
n(mel_W24)  -
y(mel_W24)  -
f(mel_W24)  -

% -------------------------------------------------------------------
 
p(geh)     1 1    0  2   1  y  -2  n
 
p(ak)      3 1    1  3  -1  f  -1  x  -1  y
             2    0  1  1  f    0  1  1  x
             2    0  1  1  x    0  1  1  y
 
p(fak)     3 1    0  1   1  x
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  x    0  1  1  y
 
p(nml)     1 1    0  1  2  n
 
p(fge)     1 1    0  1  1  f
% -------------------------------------------------------------------
sf
W(geh,ak)                 15         0         0
W(geh,fak)              13.5         0         0
W(geh,nml)               1.0         0         0
W(geh,fge)                 0         0         0
W(ak,fak)                  0         0         0
W(ak,nml)                0.0         0         0
W(ak,fge)                 15         0         0
W(fak,nml)              13.5         0         0
W(fak,fge)              13.5         0         0
W(nml,fge)               1.0         0         0
 
% -------------------------------------------------------------------
8
 
xNaM1      1 1    0  1  1  n
 
xCaM1      1 1    1  1  -1  n
 
xMgT1      3 1    1  3  -1  f  -1  x  -1  y
             2    0  1  1  f    0  1  1  x
             2    0  1  1  x    0  1  1  y
 
xFeT1      3 1    0  1   1  x
             2    0  1  -1  f    0  1  1  x
             2    0  1  -1  x    0  1  1  y
 
xAlT1      1 1    0  1  1  y
 
xFe3T1     1 1    0  1  1  f
 
xAlT2      1 1    0  3  1/2  f  1/2  y  -1  n
 
xSiT2      1 1    1  3  -1/2  f  -1/2  y   1  n
% -------------------------------------------------------------------
 
geh     2   4  xCaM1 2  xAlT1 1  xAlT2 1/2  xSiT2 1/2  
  check 0  0  1  0  
 
ak      1   3  xCaM1 2  xMgT1 1  xSiT2 1  
  check 0  0  0  0  
 
fak     1   3  xCaM1 2  xFeT1 1  xSiT2 1  
  check 1  0  0  0  
  make  3  ak  1  ordered herc 1  ordered sp -1
  delG(make)  4.05  0  0  
 
nml     4   4  xNaM1 1  xCaM1 1  xAlT1 1  xSiT2 1  
  check 0  1/2  1  0  
  make  3  equilibrium geh 1  equilibrium ab 1  equilibrium an -1
  delG(make)  -25.14  0  0
 
fge     2   4  xCaM1 2  xFe3T1 1  xAlT2 1/2  xSiT2 1/2  
  check 0  0  0  1 
  make  3  equilibrium geh 1  acm 1   jd -1
  delG(make)  7.81  0  0
% ====================================================================


% ====================================================================
% Buffers
%
% Weller, OM, Holland, TJB, Soderman, CR, Green, ECR, Powell, R, 
% Beard, CD & Riel, N (2024). New Thermodynamic Models for Anhydrous
% Alkaline-Silicate Magmatic Systems. Journal of Petrology, 65,
% doi: 10.1093/petrology/egae098
%
% fayalite-magnetite-quartz

fmq 1 buffer 1   
   make 3   fa -3   equilibrium q 3   equilibrium  mt 2 
   DQF   0  0  0   % use "buffer" script to replace middle term with by n R ln 10, for ∆FMQ n

% Ni-NiO

nno 1 buffer 1   
   make 2   equilibrium  NiO 2 equilibrium Ni -2
   DQF   0  0  0   % use "buffer" script to replace middle term with by n R ln 10, for ∆FMQ n

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

q sph ru


*


