Pentlandite Rajamani V, Prewitt C T American Mineralogist 60 (1975) 39-48 Thermal expansion of the pentlandite structure Frood, at 200 deg C _database_code_amcsd 0000438 10.158 10.158 10.158 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) Fe1 .5 .5 .5 .441 1.37 Ni1 .5 .5 .5 .538 1.37 Co1 .5 .5 .5 .008 1.37 Fe2 .1265 .1265 .1265 .441 .00291 .00291 .00291 0.0001 0.0001 0.0001 Ni2 .1265 .1265 .1265 .538 .00291 .00291 .00291 0.0001 0.0001 0.0001 Co2 .1265 .1265 .1265 .008 .00291 .00291 .00291 0.0001 0.0001 0.0001 S1 .25 .25 .25 1.31 S2 .2598 0 0 .0023 .0030 .0030 0 0 0