Tokonami M, Nishiguchi K, Morimoto N
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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