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Gladiusite |
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Sokolova E V, Hawthorne F C, McCammon C A, Liferovich R P |
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The Canadian Mineralogist 39 (2001) 1121-1130 |
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The crystal structure of gladiusite, (Fe,Mg)4Fe2(PO4)(OH)11(H2O) |
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_database_code_amcsd 0005729 |
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16.950 11.650 6.2660 90 90.000 90 P2_1/n |
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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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Fe1 .0742 .5653 .624 .0088 .0085 .0101 .0079 .0005 .0082 -.0019 |
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Fe2 .0697 .5672 .124 .48 .0088 .0085 .0101 .0079 .0005 .0082 -.0019 |
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Mn2 .0697 .5672 .124 .05 .0088 .0085 .0101 .0079 .0005 .0082 -.0019 |
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Mg2 .0697 .5672 .124 .45 .0088 .0085 .0101 .0079 .0005 .0082 -.0019 |
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Fe3 .2382 .0034 .623 .0072 .0061 .0092 .0061 .0006 -.0009 .0072 |
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Fe4 .2326 .0105 .118 .50 .0072 .0061 .0092 .0061 .0006 -.0009 .0072 |
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Mg4 .2326 .0105 .118 .50 .0072 .0061 .0092 .0061 .0006 -.0009 .0072 |
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Fe5 .1152 .8388 .871 .0074 .0074 .0088 .0060 .0001 .0009 .0000 |
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Fe6 .1098 .8448 .378 .12 .0074 .0074 .0088 .0060 .0001 .0009 .0000 |
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Mg6 .1098 .8448 .378 .74 .0074 .0074 .0088 .0060 .0001 .0009 .0000 |
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P -.0593 .7281 .374 .0158 .0135 .0162 .0178 .0019 -.0022 -.0176 |
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OH1 .118 .9641 .636 .0117 .0144 .0120 .0087 .0014 .0058 -.0090 |
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OH2 .114 .957 .136 .0117 .0144 .0120 .0087 .0014 .0058 -.0090 |
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OH3 .229 .122 .871 .0149 .0150 .0144 .0154 .0022 -.0093 -.0060 |
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OH4 .229 .112 .396 .0149 .0150 .0144 .0154 .0022 -.0093 -.0060 |
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OH5 .1214 .728 .617 .0119 .0142 .0079 .0135 .0004 -.0134 -.0053 |
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OH6 .132 .726 .116 .0119 .0142 .0079 .0135 .0004 -.0134 -.0053 |
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OH7 .144 .495 .866 .0237 .0186 .0385 .0139 .0095 -.0046 -.0324 |
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OH8 .143 .507 .385 .0237 .0186 .0385 .0139 .0095 -.0046 -.0324 |
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OH9 .235 .879 .868 .0110 .0133 .0095 .0102 .0004 -.0046 -.0036 |
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OH10 .232 .886 .358 .0110 .0133 .0095 .0102 .0004 -.0046 -.0036 |
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O11 -.0159 .8456 .392 .0137 .0115 .0226 .0069 .0006 -.0101 -.0009 |
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Wat12 -.0002 .834 .899 .0137 .0115 .0226 .0069 .0006 -.0101 -.0009 |
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OH13 -.0059 .589 .879 .0124 .0163 .0101 .0108 .0015 .0078 .0007 |
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O14 -.0118 .615 .367 .0124 .0163 .0101 .0108 .0015 .0078 .0007 |
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O15 -.1005 .737 .153 .0145 .0083 .0168 .0183 .0145 .0003 .0001 |
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O16 -.1171 .725 .561 .0145 .0083 .0168 .0183 .0145 .0003 .0001 |
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View JMOL 3-D Structure (permalink) |
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