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Roubaultite |
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Ginderow D, Cesbron F |
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Acta Crystallographica C41 (1985) 654-657 |
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Structure de la roubaultite, Cu2(UO2)3(CO3)2O2(OH)2(H2O)4 |
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Locality: Shinkolobwe, Province du Shaba, Zaire |
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Note: anisoB's from ICSD |
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_database_code_amcsd 0010005 |
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7.767 6.924 7.850 92.16 90.89 93.48 P-1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cu .4994 .2604 .4929 1.1 .0063 .0046 .0034 -.0017 -.0012 -.0012 |
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U1 0 0 0 .81 .0050 .0022 .0033 -.0002 -.0014 -.0005 |
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U2 .1377 .5179 .1947 .70 .0041 .0026 .0025 -.0002 -.0013 -.0005 |
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C .2305 .0284 .3134 1.0 .0058 .0035 .0043 -.0013 -.0029 -.0022 |
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O1 .1884 -.0006 .8649 1.9 .0101 .0069 .0079 -.0015 .0011 -.0007 |
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O2 .3332 .5375 .0721 1.8 .0049 .0150 .0052 .0003 -.0002 -.0025 |
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O3 -.0477 .5010 .3241 1.7 .0063 .0125 .0052 -.0005 .0009 -.0001 |
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O4 .1659 -.1314 .2480 1.8 .0131 .0000 .0090 -.0018 -.0046 -.0009 |
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O5 .0030 .3143 .9977 1.5 .0088 .0072 .0051 -.0052 -.0019 -.0007 |
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O6 .1839 .1789 .2406 2.2 .0134 .0061 .0085 .0014 -.0085 -.0008 |
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O7 .3411 .0345 .4409 1.2 .0052 .0057 .0055 -.0016 -.0039 -.0001 |
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O8 .3219 .5412 .4391 1.1 .0038 .0083 .0033 -.0020 .0000 .0000 |
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O9 .4075 .2789 .7261 1.8 .0092 .0108 .0044 -.0042 .0000 -.0019 |
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O10 .4210 .7470 .7476 1.9 .0105 .0099 .0053 -.0002 -.0003 -.0001 |
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H1 .235 .448 .503 3.3 |
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H2 .354 .208 .779 2.9 |
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H3 .481 .333 .812 1.5 |
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H4 .403 .663 .800 2.2 |
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H5 .321 .831 .739 3.9 |
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View JMOL 3-D Structure (permalink) |
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