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Mawsonite |
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Szymanski J T |
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The Canadian Mineralogist 14 (1976) 529-535 |
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The crystal structure of mawsonite, Cu6Fe2SnS8 |
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_database_code_amcsd 0005128 |
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7.603 7.603 5.358 90 90 90 P-4m2 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sn 0 0 0 .0084 .0084 .0091 0 0 0 |
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Cu1 .5 0 .0002 .0165 .0247 .0186 0 0 0 |
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Cu2 .2463 .2463 .5 .0165 .0165 .0182 -.0027 .0012 -.0012 |
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Fe1 .5 .5 0 .0114 .0114 .0051 0 0 0 |
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Fe2 .5 .5 .5 .0083 .0083 .0054 0 0 0 |
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S1 .2615 0 .2538 .0095 .0106 .0115 0 -.0026 0 |
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S2 .2597 .5 .2490 .0092 .0132 .0084 0 -.0018 0 |
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