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