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Pyrrhotite |
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De Villiers J P R, Liles D C |
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American Mineralogist 95 (2010) 148-152 |
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The crystal-structure and vacancy distribution in 6C pyrrhotite |
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Locality: Mponeng Mine, South Africa |
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_database_code_amcsd 0005001 |
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6.8973 11.954 17.602 90 101.302 90 Cc |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 .1226 .1315 .0015 .024 .022 .041 .008 .001 .001 -.002 |
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Fe2 .2264 .1314 .1692 .026 .028 .037 .014 .003 .005 .001 |
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Fe3 .2813 .1125 .3345 .021 .019 .026 .016 -.010 .001 -.005 |
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Fe4 .3925 .1299 .5020 .026 .026 .043 .009 .011 .001 .001 |
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Fe5 .4715 .1265 .6707 .022 .029 .022 .014 .002 .005 -.003 |
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Fe6 .5354 .1242 .8390 .892 .024 .028 .030 .012 .012 .000 .007 |
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Ni1 .5354 .1242 .8390 .108 .024 .028 .030 .012 .012 .000 .007 |
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Fe7 .6402 .1211 .0078 .667 .032 .039 .028 .029 .011 .006 -.002 |
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Ni2 .6402 .1211 .0078 .333 .032 .039 .028 .029 .011 .006 -.002 |
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Fe8 .6983 .1293 .1632 .555 .013 .07 .011 .019 .006 .001 -.001 |
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Ni3 .6983 .1293 .1632 .445 .013 .07 .011 .019 .006 .001 -.001 |
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Fe9 .8125 .1211 .3301 .021 .026 .019 .020 -.002 .011 .004 |
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Fe10 .8683 .1257 .5005 .026 .036 .024 .017 -.010 .001 -.002 |
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Fe11 .9557 .1348 .6679 .875 .017 .026 .017 .006 .000 -.001 .000 |
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Ni4 .9557 .1348 .6679 .125 .017 .026 .017 .006 .000 -.001 .000 |
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Fe12 .0604 .1128 .8336 .021 .032 .021 .011 -.008 .008 -.005 |
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S1 .3409 .0416 .9240 .015 .007 .007 .032 -.002 .005 -.004 |
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S2 .5060 .0408 .2528 .013 .009 .009 .022 -.002 .004 -.001 |
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S3 .6723 .0436 .5866 .012 .008 .012 .015 .006 -.001 -.001 |
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S4 .8380 .0416 .9180 .010 .011 .010 .009 .001 .000 .000 |
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S5 .0040 .0409 .2449 .012 .014 .008 .013 .004 -.002 -.001 |
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S6 .1710 .0419 .5856 .012 .009 .008 .019 .000 .001 -.003 |
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S7 .4180 .2089 .0824 .012 .007 .012 .013 -.002 -.005 .002 |
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S8 .5860 .2077 .4118 .013 .012 .014 .011 .000 -.001 .003 |
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S9 .7580 .2086 .7571 .011 .007 .010 .016 -.003 .001 .002 |
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S10 .9234 .2090 .0874 .014 .011 .009 .021 .000 .004 .000 |
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S11 .0899 .2089 .4209 .014 .008 .009 .024 .003 .000 .003 |
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S12 .2574 .2077 .7523 .009 .013 .007 .008 -.001 .003 .003 |
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