| comments are indicated by the | character.
 | check for warnings at the end of the header section.

Stix '05, Fab '99, Ogan '05, etc   |<= data base title

begin_standard_variables |<= name (<9 characters), reference value, tolerance
P(bar)      1.00    1.   
T(K)      300.00    1.   
Y(CO2)      0.00   0.1E-6
mu(C1)      0.00   0.1E-2
mu(C2)      0.00   0.1E-2
end_standard_variables

tolerance  -1.     |<= DTOL for unconstrained minimization, energy units

begin_components |<= name (<5 characters), molar weight (g)
MGO     40.3200
AL2O3  101.9400
SIO2    60.0900
CAO     56.0800
FEO     71.8500
end_components
     
This data base is a hybrid of:  
     
Stixrude & Lithgow-Bertelloni '05 JGR data base is for high pressure phase relations  
and seismic velocities. The data base is for a specialized EoS, the non-zero parameters                          
stored here are (in order):     
     
 f0  n -v0  k0 k0' td  gam0  q  etaS0 Sconf g0 g0'         
     
Fabrichnaya '99 Calphad data base for:                     
     
fpv, wus, apv, coe, cor, faki, spf, hercf, spd, hercd, q (DUBIOUS!)                   
     
refit to stixrude & bukowinski's equation of state, taking the q values assumed by    
Stixrude & Lithgow-Bertelloni. k0, k0' gamma0 were computed from Fabrichnaya, td      
was computed to give a match to Fabrichnaya's entropy at 20d4 bar 1600 K. Reference   
state integration constants were computed as:              
     
DG(SiO2) = stv(stx) - stv(fab) =                           
DG(FeO)  = fs(stv) - stv(stv) - fs(fab) + stv(fab)         
DG(Al2O3) = py(stx) - en(stx) - py(fab) + en(fab)          
DG(MgO)  = en(stv) - stv(stv) - en(fab) + stv(fab)         
     
sio2 :=  876.40640d3;mgo  :=  607.12137d3;al2o3 := 1697.7127d3;feo :=   300.25346d3;  
     
for wuestite (wus) the free energy was adjusted to reproduce the experimental results of                         
Irfune '94 at 28.5 GPa 1873 K.  
     
Ono, Oganov & Ohishi '05 EPSL data for ppv, appv and fppv refit to stixrude & bukowinski's                       
equation of state. td ppv adjusted to 873 K to match clapeyron slope (~80 bar/K).     
The reference state energy was chosen to give the pv->ppv transition at 2500 K and    
130 GPa.                        
     
Ca-Pv -> Elastic constants from Karki & Crain GRL 1998     
         Gamma0, etaS0 are those of Mg_perov               
         F0/theta0 adjusted to place the di = wad + stv + ca-pv                       
         phase boundary at 18.15 GPa and 1873 K with a Clapeyron slope of 20.8 bar/K  
         after experimental phase relations of Akaogi et al PEPI 2004.                
     
JADC March 5, 2005.             
     
NOTE that some of the endmembers have peculiar site populations and stoichiometries,  
this means that solution models should be checked for consistency with these choices. 
the solution models XXX(stx)/XXX(fab)/XXX(og) in solut_07.dat are consistent          
with this data base.            
     
end  
 
an       EoS = 5 |  Anorthite      CaAl2Si2O8                          
AL2O3(1)SIO2(2)CAO(1)
G0 = -235000 S0 = 13 V0 = -10.079  
c1 = 840000 c2 = 4 c3 = 753 c4 = .46 c5 = 1 c6 = 2.2  
m0 = 400000 m1 = .5  
end

 
sp       EoS = 5 |  Spinel         (Mg3Al1)(Al7Mg1)O16                 
MGO(4)AL2O3(4)
G0 = -148000 S0 = 28 V0 = -15.884  
c1 = 1970000 c2 = 4 c3 = 869 c4 = 1.27 c5 = 1 c6 = 2.5 c7 = 43.76  
m0 = 1080000 m1 = .4  
end

 
herc     EoS = 5 |  Hercynite      (Fe3Al1)(Al7Fe1)O16                 
AL2O3(4)FEO(4)
G0 = -35000 S0 = 28 V0 = -16.337  
c1 = 1970000 c2 = 4 c3 = 721 c4 = 1.27 c5 = 1 c6 = 2.5 c7 = 97.28  
m0 = 850000 m1 = .4  
end

 
fo       EoS = 5 |  Forsterite     Mg2SiO4  
MGO(2)SIO2(1)
G0 = -114100 S0 = 7 V0 = -4.367  
c1 = 1290000 c2 = 4.2 c3 = 814 c4 = 1.14 c5 = 1.9 c6 = 2  
m0 = 820000 m1 = 1.4  
end

 
fa       EoS = 5 |  Fayalite       Fe2SiO4  
SIO2(1)FEO(2)
G0 = -81100 S0 = 7 V0 = -4.627  
c1 = 1270000 c2 = 5.2 c3 = 619 c4 = 1.08 c5 = 1.9 c6 = 1.1  
m0 = 510000 m1 = 1.4  
end

 
wad      EoS = 5 |  Mg-Wadsleyite  Mg2SiO4  
MGO(2)SIO2(1)
G0 = -86500 S0 = 7 V0 = -4.052  
c1 = 1740000 c2 = 4 c3 = 858 c4 = 1.32 c5 = 1.6 c6 = 2.4  
m0 = 1120000 m1 = 1.5  
end

 
fwad     EoS = 5 |  Fe-Wadsleyite  Fe2SiO4  
SIO2(1)FEO(2)
G0 = -71800 S0 = 7 V0 = -4.322  
c1 = 1740000 c2 = 4 c3 = 671 c4 = 1.32 c5 = 1.6 c6 = 2.4  
m0 = 720000 m1 = 1.5  
end

 
ring     EoS = 5 |  Mg-Ringwoodite Mg2SiO4  
MGO(2)SIO2(1)
G0 = -76900 S0 = 7 V0 = -3.965  
c1 = 1830000 c2 = 4.1 c3 = 891 c4 = 1.21 c5 = 2 c6 = 2.3  
m0 = 1190000 m1 = 1.3  
end

 
fring    EoS = 5 |  Fe-Ringwoodite Fe2SiO4  
SIO2(1)FEO(2)
G0 = -72700 S0 = 7 V0 = -4.202  
c1 = 1920000 c2 = 4.1 c3 = 671 c4 = 1.21 c5 = 2 c6 = 2.3  
m0 = 1050000 m1 = 1.3  
end

 
en       EoS = 5 |  Enstatite      Mg4Si4O12                           
MGO(4)SIO2(4)
G0 = -316000 S0 = 20 V0 = -12.532  
c1 = 1060000 c2 = 9 c3 = 818 c4 = .92 c5 = 2 c6 = 2.1  
m0 = 770000 m1 = 1.5  
end

 
fs       EoS = 5 |  Ferrosilite    Fe4Si4O12                           
SIO2(4)FEO(4)
G0 = -257300 S0 = 20 V0 = -13.184  
c1 = 1010000 c2 = 9 c3 = 689 c4 = .98 c5 = 2 c6 = 2.1  
m0 = 520000 m1 = 1.5  
end

 
ts       EoS = 5 |  Mg-Tschermaks (Mg2Al2)Si2Al2O12                    
MGO(2)AL2O3(2)SIO2(2)
G0 = -121600 S0 = 20 V0 = -12.05  
c1 = 1060000 c2 = 9 c3 = 818 c4 = .92 c5 = 2 c6 = 2.1  
m0 = 1060000 m1 = 1.5  
end

 
c2/c     EoS = 5 |  Mg-C2/c        Mg4Si4O12                           
MGO(4)SIO2(4)
G0 = -297600 S0 = 20 V0 = -12.172  
c1 = 1160000 c2 = 4.5 c3 = 836 c4 = .92 c5 = 1.6 c6 = 2.1  
m0 = 860000 m1 = 1.5  
end

 
fc2/c    EoS = 5 |  Fe-C2/c        Fe4Si4O12                           
SIO2(4)FEO(4)
G0 = -251100 S0 = 20 V0 = -12.788  
c1 = 1100000 c2 = 5 c3 = 712 c4 = .98 c5 = 1.6 c6 = 2.1  
m0 = 680000 m1 = 1.5  
end

 
di       EoS = 5 |  Diopside       Ca2Mg2Si4O12                        
MGO(2)SIO2(4)CAO(2)
G0 = -516400 S0 = 20 V0 = -13.222  
c1 = 1140000 c2 = 4.5 c3 = 785 c4 = 1.06 c5 = 1.6 c6 = 2.1  
m0 = 670000 m1 = 1.2  
end

 
hed      EoS = 5 |  Hedenbergite   Ca2Fe2Si4O12                        
SIO2(4)CAO(2)FEO(2)
G0 = -454900 S0 = 20 V0 = -13.568  
c1 = 1200000 c2 = 4.5 c3 = 702 c4 = .95 c5 = 1.6 c6 = 2.1  
m0 = 610000 m1 = 1.2  
end

 
mdi      EoS = 5 |  Mg-Diopside    Mg2Mg2Si4O12                        
MGO(4)SIO2(4)
G0 = -305700 S0 = 20 V0 = -12.532  
c1 = 1140000 c2 = 4.5 c3 = 814 c4 = 1.06 c5 = 1.6 c6 = 2.1  
m0 = 780000 m1 = 1.2  
end

 
py       EoS = 5 |  Pyrop-e         Mg3Al1Al1Si3O12                    
MGO(3)AL2O3(1)SIO2(3)
G0 = -234100 S0 = 20 V0 = -11.319  
c1 = 1700000 c2 = 4 c3 = 828 c4 = 1.24 c5 = .3 c6 = .8  
m0 = 930000 m1 = 1.4  
end

 
alm      EoS = 5 |  Almandine      Fe3Al1Al1Si3O12                     
AL2O3(1)SIO2(3)FEO(3)
G0 = -195000 S0 = 20 V0 = -11.523  
c1 = 1770000 c2 = 4 c3 = 740 c4 = 1.04 c5 = .3 c6 = .8  
m0 = 970000 m1 = 1.4  
end

 
gr       EoS = 5 |  Grossular      Ca3Al1Al1Si3O12                     
AL2O3(1)SIO2(3)CAO(3)
G0 = -461000 S0 = 20 V0 = -12.53  
c1 = 1680000 c2 = 4.5 c3 = 817 c4 = 1.05 c5 = .3 c6 = 2.5  
m0 = 1090000 m1 = 1.1  
end

 
maj      EoS = 5 |  Majorite       Mg3Mg1Si1Si3O12                     
MGO(4)SIO2(4)
G0 = -204100 S0 = 20 V0 = -11.457  
c1 = 1600000 c2 = 4.5 c3 = 828 c4 = 1.24 c5 = .3 c6 = .8  
m0 = 870000 m1 = 1.4  
end

 
aki      EoS = 5 |  Mg-Akimotoite  MgSiO3      (ilmenite structure)    
MGO(1)SIO2(1)
G0 = -28200 S0 = 5 V0 = -2.635  
c1 = 2120000 c2 = 4.3 c3 = 901 c4 = 1.48 c5 = 1.7 c6 = 2.9  
m0 = 1320000 m1 = 1.6  
end

 
faki     EoS = 5 |  Fe-Akimotoite  FeSiO3     fabrichnaya              
SIO2(1)FEO(1)
G0 = 5350 S0 = 5 V0 = -2.7601  
c1 = 1999383 c2 = 4 c3 = 659 c4 = 1.5964 c5 = 1.7 c6 = 2.9  
m0 = 1320000 m1 = 1.6  
end

     |    f0  n -v0  k0 k0' td  gam0  q  etaS0 g0 g0'       
 
ppv      EoS = 5 |  Mg-post-Perovskite  MgSiO3, shear mod cst by 0.17 GPa                         
MGO(1)SIO2(1)
G0 = 66600 S0 = 5 V0 = -2.40269  
c1 = 2500850 c2 = 4.04 c3 = 890.75 c4 = 1.5607 c5 = .9213 c6 = 4  
m0 = 1940000 m1 = 1.7  
end

 
appv     EoS = 5 |  Al-post-Perovskite this is ppv with DH             
AL2O3(1)
G0 = 157200 S0 = 5 V0 = -2.40269  
c1 = 2500850 c2 = 4.04 c3 = 890.75 c4 = 1.5607 c5 = .9213 c6 = 4  
m0 = 1940000 m1 = 1.7  
end

 
fppv     EoS = 5 |  Fe-post-Perovskite this is ppv with DH     was 152.4d3                        
SIO2(1)FEO(1)
G0 = 148400 S0 = 5 V0 = -2.40269  
c1 = 2500850 c2 = 4.04 c3 = 890.75 c4 = 1.5607 c5 = .9213 c6 = 4  
m0 = 1940000 m1 = 1.7  
end

 
perov    EoS = 5 |  Mg-Perovskite  MgSiO3         13.9d3               
MGO(1)SIO2(1)
G0 = 13900 S0 = 5 V0 = -2.446  
c1 = 2630000 c2 = 3.9 c3 = 890 c4 = 1.5 c5 = 1 c6 = 4  
m0 = 1770000 m1 = 1.7  
end

 
aperov   EoS = 5 |  Al-Perovskite  Al2O3    
AL2O3(1)
G0 = 110600 S0 = 5 V0 = -2.4  
c1 = 2625265 c2 = 4.1 c3 = 766 c4 = 1.8 c5 = 1 c6 = 4  
m0 = 1770000 m1 = 1.7  
end

 
cor      EoS = 5 |  corundum  Al2O3       fabrichnaya                  
AL2O3(1)
G0 = 6600 S0 = 5 V0 = -2.5576  
c1 = 2519048 c2 = 4.2 c3 = 949 c4 = 1.2702 c5 = 1.7 c6 = 4  
m0 = 1770000 m1 = 1.7  
end

 
fperov   EoS = 5 |  Fe-Perovskite  FeSiO3     was 42                   
SIO2(1)FEO(1)
G0 = 38000 S0 = 5 V0 = -2.559  
c1 = 2724800 c2 = 4 c3 = 682 c4 = 2.37 c5 = 1 c6 = 4  
m0 = 1770000 m1 = 1.7  
end

 
ca-pv    EoS = 5 |  Ca-Perovskite  CaSiO3   
SIO2(1)CAO(1)
G0 = -68100 S0 = 5 V0 = -2.7304  
c1 = 2410000 c2 = 4.14 c3 = 842 c4 = 1.5 c5 = 1 c6 = 4  
m0 = 1640000 m1 = 1.9  
end

 
per      EoS = 5 |  Periclase      MgO      
MGO(1)
S0 = 2 V0 = -1.125  
c1 = 1600000 c2 = 4.1 c3 = 771 c4 = 1.45 c5 = 1.7 c6 = 2.3  
m0 = 1310000 m1 = 2.2  
end

 
wus      EoS = 5 |  Wuestite      FeO   fabrichnaya     20d3           
FEO(1)
G0 = 26000 S0 = 2 V0 = -1.225  
c1 = 1782535 c2 = 4 c3 = 328 c4 = 1.57 c5 = 1.7 c6 = 2.3  
m0 = 1310000 m1 = 2.2  
end

 
stv      EoS = 5 |  Stishovite     SiO2     
SIO2(1)
S0 = 3 V0 = -1.401  
c1 = 3130000 c2 = 4.2 c3 = 997 c4 = 1.35 c5 = 1 c6 = 2.2  
m0 = 2200000 m1 = 1.8  
end

 
coe      EoS = 2 | H= -905490.   holland & powell, G modified to give coe/stv at 11GPa            
SIO2(1)
G0 = -38729 S0 = 40.8 V0 = 2.064  
c1 = 96.5 c2 = -.577E-3 c3 = -444800 c5 = -798.2  
b1 = .18E-4 b5 = -.18E-3 b6 = 1044722 b7 = -150 b8 = 4  
m0 = 620000 m1 = 1.5 m2 = -150  
end

     |      0.59d6  1.40097 -24. 0. 0. 0. 0. 0. 0. 0. helffrich www1.gly.bris.ac.uk/~ge
 
q        EoS = 2 | H= -910840.    holland & powell, G modified to give coe/stv at 11GPa           
SIO2(1)
G0 = -44287.6 S0 = 41.5 V0 = 2.2688  
c1 = 110.7 c2 = -.5189E-2 c5 = -1128.3  
b1 = .65E-5 b5 = -.65E-4 b6 = 783542. b7 = -112.5 b8 = 4  
m0 = 431250 m1 = .46 m2 = -14  
transition = 1 type = 4  t1 = 847  t2 = 4.95  t3 = .1188  
end