Pentlandite Rajamani V, Prewitt C T American Mineralogist 60 (1975) 39-48 Thermal expansion of the pentlandite structure Outokumpu, at 24 deg C _database_code_amcsd 0000440 9.977 9.977 9.977 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 .181 .55 Ni1 .5 .5 .5 .202 .55 Co1 .5 .5 .5 .619 .55 Fe2 .12617 .12617 .12617 .181 .00124 .00124 .00124 .00006 .00006 .00006 Ni2 .12617 .12617 .12617 .202 .00124 .00124 .00124 .00006 .00006 .00006 Co2 .12617 .12617 .12617 .619 .00124 .00124 .00124 .00006 .00006 .00006 S1 .25 .25 .25 .62 S2 .2623 0 0 .00093 .00138 .00138 0 0 0