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 = 294 K, P = 0.0001 GPa
_database_code_amcsd 0009769
5.963 5.963 11.754 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   .3787  .0553 .12300 .988  .0128 .01111 .00086  .0064 -.0001 -.0002
S1       0      0      0  .77   .008   .008  .0011   .004      0      0
S2     1/3    2/3  .0208  .78  .0089  .0089  .0008 .00445      0      0
S3   .6648 -.0041    .25  .79  .0084  .0079  .0011  .0039      0      0