Troilite
King H E, Prewitt C T
Acta Crystallographica B38 (1982) 1877-1887
High-pressure and high-temperature polymorphism of iron sulfides (FeS)
Sample: T = 393 K, P = 0.0001 GPa
_database_code_amcsd 0009770
5.999 5.999 11.71 90 90 120 P-62c
atom     x      y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe   .3739  .0502 .1230 1.71  .0171  .0147  .0036  .0097 -.0001  .0003
S1       0      0     0  .96  .0098  .0098  .0014  .0049      0      0
S2     1/3    2/3 .0186  1.2  .0089  .0089  .0032 .00445      0      0
S3   .6658 -.0030   .25  1.3   .010  .0088  .0031  .0047      0      0