American Mineralogist Crystal Structure Database

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Pyrrhotite
Download hom/pyrrhotite.pdf
Tokonami M, Nishiguchi K, Morimoto N
Download am/vol57/AM57_1066.pdf
American Mineralogist 57 (1972) 1066-1080
Crystal structure of a monoclinic pyrrhotite (Fe7S8)
11.902 6.859 22.787 90 90.43 90 F2/d
atom     x     y      z Biso
Fe1  .3809 .3500 -.0063  .94
Fe2  .3816 .3660  .1234  .89
Fe3  .3587 .3975  .2501  .75
Fe4   .375 .3528   .375 1.41
S1   .2061 .3660 -.0618  .78
S2   .5418 .3833  .0598  .61
S3   .2096 .3858  .1805  .50
S4   .5428 .3645  .3087  .65
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