690 DO NOT DELETE THIS LINE

begin_model

                             Ti-Fe3+ Biotite from Tajcmanova et al., JMG 2009;
                             extended for Mn solution after Tinkham et al. 2001.

                             Model entered by Lucie Tajcmanova, December, 2008.

                             NOTE this model requires the following make definitions 
                             in the thermodynamic data file:

                             tbit = 1 phl - 1 br + 1 ru           84e3 -11.5 0 
                             fbit = 1 east - 1/2 cor + 1/2 hem    6e3 0 0  

                             site population limits added Feb 20, 2011, JADC.

                             reformulated as a prismatic + orphan vertex model.

                             JADC, 10/5/2018


                                      Site:           M1      M2       T1     H
                                                     ____________________________

                                      Mutliplicity    1       2        2      2       

                                    endmember        ____________________________   type
                                    _________                                       _________


                                        ffbit         Fe3+   FeFe     AlAl    OH    dependent 
                                        fbit          Fe3+   MgMg     AlAl    OH
                          
                                        ftbit         Fe     TiFe     AlSi    O     dependent
                                        tbit          Mg     TiMg     AlSi    O
   
                                        sdph          Al     FeFe     AlAl    OH    dependent
                                        east          Al     MgMg     AlAl    OH

                                        mnbi          Mn     MnMn     AlSi    OH    independent orphan
                                        ann           Fe     FeFe     AlSi    OH
                                        phl           Mg     MgMg     AlSi    OH

                                        obi           Fe     MgMg     AlSi    OH    ordered

Bio(TCC)                     | model name
abbreviation Bio
full_name    biotite

9                            | model type: O/D with prism + orphan vertex composition space 

2                            | prismatic vertex consists of two simplexes with a common vertex
2  4                         | 2 components {Fe2+, Mg} on simplex 1, 4 components {Al, Si, Fe3+, Ti} on simplex 2
1                            | number of orphan vertices

                             | endmembers on the prismatic vertex
ffbit     fbit
ftbit     tbit
sdph      east
ann       phl
                             | orphan vertex
mnbi

1                            | number of ordered species:

obi = 2/3 phl + 1/3 ann   enthalpy_of_ordering = -6.8d3 

begin_limits
obi = -3   + 3   ann  + 1   obi                     delta = 3 z(M2,Fe) 
obi =      - 3   phl  - 3/2 tbit - 3 east - 2 obi   delta = 3 z(M2,Mg)
obi =      - 3/2 ann  - 1/2 obi                     delta = 3/2 z(M1,Fe)
obi = -3/2 + 3/2 tbit + 3/2 phl  + 1 obi            delta = 3/2 z(M1,Mg)
end_limits     

3                            | number of dependent endmembers 
                            
sdph    = 1 east + 1 ann    - 1 obi
ffbit   = 1 fbit + 1 ann    - 1 obi
ftbit   = 1 tbit + 1/2 ann  + 1/2 obi - 1 phl

0 0 0 0 0 0 0 0 0            | endmember flags

0. 1. .1  0                  | range and resolution of X(Mg, M2), mod = 0 -> cartesian subdivision  

0. 1. .1  0                  | range and resolution of X(Fe3+,*), mod = 0 -> cartesian subdivision    
0. .5 .1  0                  | range and resolution of X(Ti,  *), mod = 0 -> cartesian subdivision
0. 1. .1  0                  | range and resolution of X(Al,  *), mod = 0 -> cartesian subdivision  

0. .5 .1  0                  | range and resolution of mnbi, mod = 0 -> cartesian subdivision  

begin_excess_function
W(phl ann)   12000. 0. 0.    | excess parameters from Holland & Powell, JMG, 2006
W(phl east)  10000. 0. 0.  
W(phl obi)    4000. 0. 0. 
W(ann east)   3000. 0. 0.  
W(ann obi)    8000. 0. 0.
W(obi east)   7000. 0. 0. 
end_excess_function 

4                           | Configurational entropy: 4 sites, M1, M2, T1 H.

5 1.                        | 5 species on M1, 1 site per formula unit.

z(m1,fe)   = ...

end_of_model