Szymanski J T
The Canadian Mineralogist 14 (1976) 529-535
The crystal structure of mawsonite, Cu6Fe2SnS8
7.603 7.603 5.358 90 90 90 P-4m2
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sn 0 0 0 .0084 .0084 .0091 0 0 0
Cu1 .5 0 .0002 .0165 .0247 .0186 0 0 0
Cu2 .2463 .2463 .5 .0165 .0165 .0182 -.0027 .0012 -.0012
Fe1 .5 .5 0 .0114 .0114 .0051 0 0 0
Fe2 .5 .5 .5 .0083 .0083 .0054 0 0 0
S1 .2615 0 .2538 .0095 .0106 .0115 0 -.0026 0
S2 .2597 .5 .2490 .0092 .0132 .0084 0 -.0018 0
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