Troilite
Skala R, Cisarova I, Drabek M
American Mineralogist 91 (2006) 917-921
Inversion twinning in troilite
Sample: Synthetic
_database_code_amcsd 0004160
5.9660 5.9660 11.7650 90 90 120 P-62c
atom     x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1  .3786  .0546 .12302 .0180  .0215  .0182  .0154  .0108 -.0006 -.0013
S1       0      0      0 .0172  .0161  .0161  .0194 .00805      0      0
S2     1/3    2/3  .0198 .0149  .0146  .0146  .0157 .00785      0      0
S3   .6656 -.0029    .25 .0150  .0141  .0144  .0172  .0075      0      0