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Carboborite |
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Zhesheng M, Nicheng S, Jinchuan S, Zhizhong P |
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Bulletin de Mineralogie 104 (1981) 578-581 |
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The refinement of the crystal structure of carboborite MgCa2[CO3]2[B(OH)4]2*4H2O |
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_database_code_amcsd 0012074 |
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11.011 6.674 10.692 90 116.64 90 P2_1/n |
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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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Mg .5 0 0 .0027 .0062 .0028 0 .002 0 |
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Ca .2985 .9987 .2391 .0026 .0043 .0025 .0002 .0018 .0003 |
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C .2764 .2654 .0235 .0017 .0043 .0013 .0002 .0011 -.0002 |
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B .5080 -.2943 .2464 .0039 .0084 .0044 .0003 .0025 .0008 |
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O1 .2052 .2860 .0904 .0039 .0076 .0033 .0006 .0027 -.0002 |
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O2 .3437 .1008 .0430 .0044 .0079 .0047 .0018 .0038 .0016 |
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O3 .4121 .2975 .3838 .0034 .0094 .0037 -.0006 .0015 .0004 |
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O4 .2777 .4025 -.0589 .0065 .0085 .0051 .0022 .0044 .0021 |
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O5 .5477 -.2232 .1414 .0043 .0087 .0042 .0017 .0034 .0017 |
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O6 .5776 -.4827 .3093 .0035 .0074 .0052 .0011 .0022 .0021 |
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O7 .5278 -.1362 .3497 .0032 .0087 .0036 -.0012 .0021 -.001 |
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O8 .6370 .1934 .1519 .0061 .0105 .0052 .0003 .0012 .0013 |
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O9 .3593 -.3307 .1816 .0027 .0073 .0034 .0004 .0020 .0006 |
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H1 .116 .191 .631 |
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H2 .173 .120 .407 |
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H3 .358 .466 .624 |
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H4 .428 .305 .887 |
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H5 .401 .067 .615 |
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H6 .460 .267 .471 |
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H7 .168 .352 .724 |
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H8 .477 .350 .379 |
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