Pentlandite
Rajamani V, Prewitt C T
The Canadian Mineralogist 12 (1973) 178-187
Crystal chemistry of natural pentlandite
Locality: Frood Mine, Ontario, Canada
_database_code_amcsd 0005095
10.038 10.038 10.038 90 90 90 Fm3m
atom      x      y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
FeMO     .5     .5     .5  .7  .55
NiMO     .5     .5     .5  .3  .55
NiMT .12608 .12608 .12608 .58  .42 .00106 .00106 .00106 .00008 .00008 .00008
FeMT .12608 .12608 .12608 .41  .42 .00106 .00106 .00106 .00008 .00008 .00008
S1      .25    .25    .25      .58
S2    .2632      0      0      .42  .0009  .0011  .0011      0      0      0