Hi Dave,
I have one which Richard White gave to me. The melt composition is not
added to this attached file. If you want the one with melt composition,
I can send it to you.
Yan Chen
Dave Kelsey wrote:
>Hello all at geometamorphism,
>
>does anyone have an up-to-date MnNCKFMASH datafile for THERMOCALC (i.e. works on v3.23 or
>v3.26) that they could please email me? The only Mn-bearing datafile I have contains Ti and Fe3 as
>well, which i don't want for my current exercise.
>
>cheers/thanks
>dave kelsey
>Australian Postdoctoral Fellow
>University of Adelaide
>Australia
>
>
>
% ==================Chlorite======================================
chl 4 % Holland et al 1998 EJM 10, 395, SIMPLIFIED
% use ONLY for chl with y > 1/2 (+ Mn)
x(chl) 0.5856 % Fe/(Fe + Mg)
y(chl) 0.5371 % 2y = x(Al,M4) + x(Al,M1)
m(chl) 0.008870 % x(Mn,M23) = x(Mn,M1)
% --------------------------------------------------
p(clin) 2 1 2 2 -2 y -1 m
2 0 1 -2/5 x 3 2 -1 y -1 m
p(daph) 1 2 0 1 2/5 x 3 2 -1 y -1 m
p(ames) 1 1 -1 1 2 y
p(mnchl) 1 1 0 1 1 m
% --------------------------------------------------
sf
W(clin,daph) 2.5 0 0
W(clin,ames) 18 0 0
W(clin,mnchl) 0 0 0
W(daph,ames) 13.5 0 0
W(daph,mnchl) 0 0 0
W(ames,mnchl) 0 0 0
% --------------------------------------------------
9 % site fractions
x(Fe,M23) 1 2 0 1 1 x 1 1 -1 m
x(Mg,M23) 1 2 1 1 -1 x 1 1 -1 m
x(Mn,M23) 1 1 0 1 1 m
x(Al,M1) 1 1 -1 1 2 y
x(Fe,M1) 1 2 0 1 1 x 2 2 -2 y -1 m
x(Mg,M1) 1 2 1 1 -1 x 2 2 -2 y -1 m
x(Mn,M1) 1 1 0 1 1 m
x(Al,T2) 1 1 0 1 1 y
x(Si,T2) 1 1 1 1 -1 y
% --------------------------------------------------
clin 4 4 x(Mg,M23) 4 x(Mg,M1) 1 x(Al,T2) 1 x(Si,T2) 1
daph 4 4 x(Fe,M23) 4 x(Fe,M1) 1 x(Al,T2) 1 x(Si,T2) 1
ames 1 3 x(Mg,M23) 4 x(Al,M1) 1 x(Al,T2) 2
mnchl 4 4 x(Mn,M23) 4 x(Mn,M1) 1 x(Al,T2) 1 x(Si,T2) 1
% =============================================================
st 3
x(st) 0.89 % Fe/(Fe + Mg)
m(st) 0.01 % Mn/(Fe + Mg + Mn)
p(mst) 1 2 1 1 -1 x 1 1 -1 m
p(fst) 1 2 0 1 1 x 1 1 -1 m
p(mnst) 1 1 0 1 1 m
sf
w(mst,fst) -8 0 0
w(mst,mnst) 0 0 0
w(fst,mnst) 0 0 0
3
x(Mg) 1 2 1 1 -1 x 1 1 -1 m
x(Fe) 1 2 0 1 1 x 1 1 -1 m
x(Mn) 1 1 0 1 1 m
mst 1 1 x(Mg) 4
fst 1 1 x(Fe) 4
mnst 1 1 x(Mn) 4
% =============================================================
ctd 3
x(ctd) 0.8 % Fe/(Fe + Mg)
m(ctd) 0.1 % Mn/(Fe + Mg + Mn)
p(mctd) 1 2 1 1 -1 x 1 1 -1 m
p(fctd) 1 2 0 1 1 x 1 1 -1 m
p(mnctd) 1 1 0 1 1 m
sf
w(mctd,fctd) 1 0 0
w(mctd,mnctd) 0 0 0
w(fctd,mnctd) 0 0 0
3
x(Mg) 1 2 1 1 -1 x 1 1 -1 m
x(Fe) 1 2 0 1 1 x 1 1 -1 m
x(Mn) 1 1 0 1 1 m
mctd 1 1 x(Mg) 1
fctd 1 1 x(Fe) 1
mnctd 1 1 x(Mn) 1
% ========cordierite=====================================
cd 4
x(cd) 0.3 % Fe/(Fe + Mg)
m(cd) 0.02 % Mn/(Fe + Mg + Mn)
h(cd) 0.5 % H2O
p(crd) 2 1 1 2 -1 m -1 h
2 0 1 -1 x 1 1 -1 m
p(fcrd) 1 2 0 1 1 x 1 1 -1 m
p(mncrd) 1 1 0 1 1 m
p(hcrd) 1 1 0 1 1 h
ideal
5 x(Mg) 1 2 1 1 -1 x 1 1 -1 m
x(Fe) 1 2 0 1 1 x 1 1 -1 m
x(Mn) 1 1 0 1 1 m
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
mncrd 1 2 x(Mn) 2 noth 1
hcrd 1 2 x(Mg) 2 h 1
% ==================White mica (muscovite)======================================
% NKFMASH white mica, from Coggon&Holland, 2002
mu 4
fe(mu) 0.5615 % = Fe/(Fe+Mg) bulk
y(mu) 0.9621 % = 2 - (Si/2)
na(mu) 0.2538 % = Na total
% --------------------------------------------------
p(mu) 1 1 0 2 1 y -1 na % = y - na
p(pa) 1 1 0 1 1 na % = na
p(cel) 1 2 1 1 -1 fe 1 1 -1 y % = (1 - fe)(1 - y)
p(fcel) 1 2 0 1 1 fe 1 1 -1 y % = (fe)(1 - y)
% --------------------------------------------------
asf
W(mu,pa) 10.12 0.0034 0.353
W(mu,cel) 0.00 0.0000 0.200
W(mu,fcel) 0.00 0.0000 0.200
W(pa,cel) 52.00 0.0000 0.000
W(pa,fcel) 52.00 0.0000 0.000
W(cel,fcel) 0.00 0.0000 0.000
mu 0.63 0.0 0.0
pa 0.37 0.0 0.0
cel 0.63 0.0 0.0
fcel 0.63 0.0 0.0
% --------------------------------------------------
7
x(K,A) 1 1 1 1 -1 na % = 1 - na
x(Na,A) 1 1 0 1 1 na % = na
x(Al,M2A) 1 1 0 1 1 y % = y
x(Fe,M2A) 1 2 0 1 1 fe 1 1 -1 y % = (fe)(1-y)
x(Mg,M2A) 1 2 1 1 -1 fe 1 1 -1 y % = (1-fe)(1-y)
x(Si,T1) 1 1 1 1 -1/2 y % = 1 - (y/2)
x(Al,T1) 1 1 0 1 1/2 y % = (y/2)
% --------------------------------------------------
mu 4 4 x(K,A) 1 x(Al,M2A) 1 x(Al,T1) 1 x(Si,T1) 1
check 0 1 0
pa 4 4 x(Na,A) 1 x(Al,M2A) 1 x(Al,T1) 1 x(Si,T1) 1
check 0 1 1
cel 1 3 x(K,A) 1 x(Mg,M2A) 1 x(Si,T1) 2
check 0 0 0
fcel 1 3 x(K,A) 1 x(Fe,M2A) 1 x(Si,T1) 2
check 1 0 0
% ==PARAGONITE======= NKFMASH white mica, from Coggon&Holland, 2002 ==================
pa 4
fe(pa) 0.5615 % Fe/(Fe+Mg)
y(pa) 0.9994 % XAl,M2A
na(pa) 0.9595 % XNa,A
% --------------------------------------------------
p(mu) 1 1 0 2 1 y -1 na
p(pa) 1 1 0 1 1 na
p(cel) 1 2 1 1 -1 fe 1 1 -1 y
p(fcel) 1 2 0 1 1 fe 1 1 -1 y
% --------------------------------------------------
asf
W(mu,pa) 10.12 0.0034 0.353
W(mu,cel) 0.00 0.0000 0.200
W(mu,fcel) 0.00 0.0000 0.200
W(pa,cel) 52.00 0.0000 0.000
W(pa,fcel) 52.00 0.0000 0.000
W(cel,fcel) 0.00 0.0000 0.000
mu 0.63 0.0 0.0
pa 0.37 0.0 0.0
cel 0.63 0.0 0.0
fcel 0.63 0.0 0.0
% --------------------------------------------------
7
x(K,A) 1 1 1 1 -1 na
x(Na,A) 1 1 0 1 1 na
x(Al,M2A) 1 1 0 1 1 y
x(Fe,M2A) 1 2 0 1 1 fe 1 1 -1 y
x(Mg,M2A) 1 2 1 1 -1 fe 1 1 -1 y
x(Si,T1) 1 1 1 1 -1/2 y
x(Al,T1) 1 1 0 1 1/2 y
% --------------------------------------------------
mu 4 4 x(K,A) 1 x(Al,M2A) 1 x(Al,T1) 1 x(Si,T1) 1
check 0 1 0
pa 4 4 x(Na,A) 1 x(Al,M2A) 1 x(Al,T1) 1 x(Si,T1) 1
check 0 1 1
cel 1 3 x(K,A) 1 x(Mg,M2A) 1 x(Si,T1) 2
check 0 0 0
fcel 1 3 x(K,A) 1 x(Fe,M2A) 1 x(Si,T1) 2
check 1 0 0
% __________________________________________________________________
bi 5 % Powell/Holland 1999 Am Min, 84, 1 (+ Mn)
x(bi) 0.4 % Fe/(Fe + Mg)
y(bi) 0.25 % x(Al,M1)
m(bi) 0.02 % x(Mn,M1) = x(Mn,M2)
Q(bi) 0.14 % order parameter 3({Fe/(Fe + Mg)}bulk - {Fe/(Fe + Mg)}M2)
% --------------------------------------------------
p(phl) 2 2 1 1 -1 x 1 2 -1 y -1 m
2 0 1 -2/3 Q 1 1 -1 m
p(ann) 1 2 0 2 1 x -1/3 Q 1 1 -1 m
p(east) 1 1 0 1 1 y
p(mnbi) 1 1 0 1 1 m
p(obi) 2 2 0 1 -1 x 0 1 1 y
2 0 1 1 Q 1 1 -1 m
% --------------------------------------------------
sf
W(phl,ann) 9 0 0
W(phl,east) 10 0 0
W(phl,mnbi) 0 0 0
W(phl,obi) 3 0 0
W(ann,east) -1 0 0
W(ann,mnbi) 0 0 0
W(ann,obi) 6 0 0
W(east,mnbi) 0 0 0
W(east,obi) 10 0 0
W(mnbi,obi) 0 0 0
% --------------------------------------------------
9 % no of site fractions
x(Al,M1) 1 1 0 1 1 y
x(Fe,M1) 2 2 0 1 1 x 1 2 -1 y -1 m
2 0 1 2/3 Q 1 1 -1 m
x(Mg,M1) 2 2 1 1 -1 x 1 2 -1 y -1 m
2 0 1 -2/3 Q 1 1 -1 m
x(Mn,M1) 1 1 0 1 1 m
x(Fe,M2) 1 2 0 2 1 x -1/3 Q 1 1 -1 m
x(Mg,M2) 1 2 1 2 -1 x 1/3 Q 1 1 -1 m
x(Mn,M2) 1 1 0 1 1 m
x(Al,T1) 1 1 1/2 1 1/2 y
x(Si,T1) 1 1 1/2 1 -1/2 y
% --------------------------------------------------
phl 4 4 x(Mg,M1) 1 x(Mg,M2) 2 x(Al,T1) 1 x(Si,T1) 1
ann 4 4 x(Fe,M1) 1 x(Fe,M2) 2 x(Al,T1) 1 x(Si,T1) 1
east 1 3 x(Al,M1) 1 x(Mg,M2) 2 x(Al,T1) 2
mnbi 4 4 x(Mn,M1) 1 x(Mn,M2) 2 x(Al,T1) 1 x(Si,T1) 1
obi 4 4 x(Fe,M1) 1 x(Mg,M2) 2 x(Al,T1) 1 x(Si,T1) 1
make 2 phl 2/3 ann 1/3
DQF -10.73 0 0
% ==================Garnet======================================
g 4
x(g) 0.9334 % Fe/(Fe+Mg)
z(g) 0.1196 % Ca/(Fe+Mg+Ca+Mn)
m(g) 0.3206 % Mn/(Fe+Mg+Ca+Mn)
% --------------------------------------------------
p(gr) 1 1 0 1 1 z
p(alm) 1 2 1 2 -1 z -1 m 0 1 1 x
p(py) 1 2 1 2 -1 z -1 m 1 1 -1 x
p(spss) 1 1 0 1 1 m
% --------------------------------------------------
sf
W(gr,alm) 0 0 0
W(gr,py) 33 0 0
W(gr,spss) 0 0 0
W(alm,py) 2.5 0 0
W(alm,spss) 0 0 0
W(py,spss) 0 0 0
% --------------------------------------------------
4
xFeM1 1 2 1 2 -1 z -1 m 0 1 1 x
xMgM1 1 2 1 2 -1 z -1 m 1 1 -1 x
xCaM1 1 1 0 1 1 z
xMnM1 1 1 0 1 1 m
% --------------------------------------------------
gr 1 1 xCaM1 3
alm 1 1 xFeM1 3
py 1 1 xMgM1 3
spss 1 1 xMnM1 3
%=============Plagioclase will cope peristerite===================
% from ternary plag mode for Cbar1 ASF
pl 2
ca(pl) 0.1614
% --------------------------------------------------
p(ab) 1 1 1 1 -1 ca
p(an) 1 1 0 1 1 ca
% --------------------------------------------------
asf
w(aban) 3.1 0 0
ab 0.643 0 0
an 1.0 0 0
% --------------------------------------------------
2
x(Na) 1 1 1 1 -1 ca
x(Ca) 1 1 0 1 1 ca
% --------------------------------------------------
abh 1 1 x(Na) 1
an 1 1 x(Ca) 1
DQF 7.03 -0.00466 0
% ===============Pure phases ==========================
q ab H2O cz and sill ky % ab, with pl above, allows peristerite to be handled
%=============================================================================
*
% +++++++++++++++++++++++ Scripts +++++++++++++++++++++++++
incax no
incthermo no
incnler no
moreprec
fluidpresent yes
fluidexcess yes
setexcess q pl mu
setallcomps no
ignore no
calctatp no
setdefTwindow 50 900
setdefPwindow 0.1 10
setiso no
seta no
setmu no
exbuff no
pseudosection yes
% -----------------------------------------------
% JW17 XRF mole% of oxides analysis, without CO2
% -----------------------------------------------
% SiO2 Al2O3 CaO MgO FeO K2O Na2O MnO
setbulk yes 79.37 9.25 0.93 1.87 2.94 2.01 2.95 0.04
% -----------------------------------------------
printbulkinfo yes
setmodeiso no
zeromodeiso no
calcg no
dogmin no
calcsdnle no
project no
setproject no
projcomp no
smath no
xinsmath no
tabsmath no
txmath no
cmath no
drawpd yes
*
% +++++++++++++++++++++++ Meanings of Scripts +++++++++++++++++++++++++
%ignore ask % specifies phases to ignore this run
%calcsdnle yes % whether to pervorm uncertainty propagation on calculations
%fluidpresent ask %whether H2O or CO2 in the datafile means fluid present
%fluidexcess ask % whether fluid is in excess
%setexcess ask %amu0 defining other phases in excess
%calctatp ask % whether to calculate T at given P for P-T lines
%setdefPwindow allows the user to define the default P window for calculations
%setdefTwindow allows the user to define the default T window for calculations
%setPwindow ask % allows the user to define the P range for calculations
%setTwindow ask % allows the user to define the T range for calculations
%setallcomps NO INFO
%moreprec no % WHAT DOES THIS DO?
%calcg no % WHAT DOES THIS DO?
%printbulkinfo ask % prints bulk rock information in th log file for buffering calculations
%pseudosection ask % whether to generate pseudosection information
%setmodeiso ask % allows the setting of mode isopleths
%zeromodeiso ask % allows the setting of zero mode isopleths
%setiso no % setiso x(CO2) whether to calculation composition isopleths in calculations
%exbuff no % allows external buffering calculations involving H2O-CO2 fluids
%setmu no % whether to set chemical potentials in calculations
% setmu K2O
%incnler no % whether to include the set of end-member reactions in the log file
%incthermo no % whether to include tables of thermo data in the log file
%incax no % whether to include the a-x relationships in the log file
%seta no % whether to set activities in calculations
% seta H2O
%project no % whether to project phases onto a compatibility diagram
%setproject no % allows the user to define the compatibilitiy diagram (projection plane)
%projcomp no % whether to project bulk compositions onto the compatibility diagram
%Grs(0.051);Alm(0.691);Prp(0.165);Sps(0.093)
% H2O SiO2 Al2O3 CaO MgO FeO K2O Na2O TiO2 MnO
%setbulk ask %35 66.016 15.046 0.628 5.474 8.678 2.240 1.023 0.711 0.1215 %XRF, With TiO2
% Al2O3 CaO MgO FeO K2O Na2O TiO2 MnO -- MnNCKFMASHT order
% setbulk yes 15.046 0.628 5.474 8.678 2.240 1.023 0.711 0.1215 %XRF, With TiO2
%----------- Output Switches
%smath no % places calculated coordinates into another file for usein mathematica
%xinsmath no
%tabsmath no
%cmath no % places compatibility diagram coordinates into another file
% txmath yes
drawpd yes % places caluclated coordinates into another file for use in drawpd
%infolevel 2
%-----------
%oldmethod no
*
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