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Perryite |
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Marsh R E |
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Acta Crystallographica A50 (1994) 450-455 |
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The centrosymmetric - noncentrosymmetric ambiguity: some more examples |
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Locality: synthetic |
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_database_code_amcsd 0009330 |
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6.640 6.640 37.9819 90 90 120 R-3c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni1 .33167 .41760 .05226 .97 .0069 .0066 .0114 .0001 .0026 .0005 .0007 |
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Fe1 .33167 .41760 .05226 .03 .0069 .0066 .0114 .0001 .0026 .0005 .0007 |
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Ni2 .33764 .03347 .01744 .97 .0047 .0060 .0074 -.0002 .0026 -.0011 .0014 |
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Fe2 .33764 .03347 .01744 .03 .0047 .0060 .0074 -.0002 .0026 -.0011 .0014 |
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Ni3 0 0 .21863 .97 .0056 .0086 .0086 -.0003 .0043 0 0 |
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Fe3 0 0 .21863 .03 .0056 .0086 .0086 -.0003 .0043 0 0 |
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Ni4 0 0 .05959 .97 .0056 .0086 .0086 -.0004 .0043 0 0 |
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Fe4 0 0 .05959 .03 .0056 .0086 .0086 -.0004 .0043 0 0 |
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Si1 -.31572 0 .25 .79 .0056 .0079 .0081 .0007 .0040 0 0 |
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P1 -.31572 0 .25 .21 .0056 .0079 .0081 .0007 .0040 0 0 |
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Si2 0 0 .15823 .79 .0043 .0077 .0077 -.0026 .0038 0 0 |
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P2 0 0 .15823 .21 .0043 .0077 .0077 -.0026 .0038 0 0 |
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Si3 0 0 0 .79 .0022 .0054 .0054 -.0041 .0027 0 0 |
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P3 0 0 0 .21 .0022 .0054 .0054 -.0041 .0027 0 0 |
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