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Clinokurchatovite |
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Yakubovich O V, Yamnova N A, Shchedrin B M, Simonov M A, Belov N V |
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Soviet Physics Doklady 21 (1976) 294-295 |
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Crystal structure of magnesium kurchatovite CaMg[B2O5] |
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Locality: Siberia, Russia |
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_database_code_amcsd 0015602 |
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12.331 5.489 11.092 90 90 78.42 P2_1/b |
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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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Ca1 .5899 .3431 .3729 .58 .00114 .00539 .00097 -.00042 .00007 -.00021 |
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Ca2 .0929 .3679 .3816 .61 .00104 .00555 .00103 -.00002 .00008 .00028 |
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Mg1 .2629 .2475 .1278 .23 .00047 .00166 .00041 -.00003 -.00002 .00006 |
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Mg2 .7643 .2459 .1278 .30 .00064 .00204 .00058 -.00013 .00002 -.00017 |
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B1 .8271 .2101 .3833 .63 .00159 .00362 .00118 -.00035 .00023 .00063 |
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B2 .3256 .2013 .3752 .63 .00139 .00407 .00129 -.00051 -.00006 -.00047 |
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B3 -.0092 .3729 .1237 .63 .00132 .00509 .00109 -.00018 .00008 .00038 |
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B4 .4894 .3521 .1198 .65 .00106 .00644 .00110 -.00051 .00008 .00010 |
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O1 .4424 .1099 .3716 .68 .00087 .00427 .00195 -.00024 .00009 .00056 |
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O2 .9432 .1308 .3906 .65 .00098 .00435 .00200 -.00015 -.00004 -.00054 |
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O3 .4305 .1833 .0824 .59 .00099 .00457 .00127 -.00020 -.00005 -.00051 |
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O4 .0949 .3187 .1692 .76 .00097 .00816 .00126 .00003 -.00016 -.00036 |
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O5 .9332 .1971 .0941 .62 .00130 .00473 .00116 -.00044 .00005 -.00054 |
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O6 .7739 .3992 .4557 .58 .00113 .00412 .00116 .00013 -.00007 .00025 |
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O7 .7686 .0961 .3003 .59 .00109 .00470 .00117 -.00048 -.00013 .00019 |
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O8 .2813 .3936 .3016 .58 .00128 .00346 .00117 -.00010 -.00019 .00016 |
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O9 .2602 .0961 .4503 .55 .00105 .00423 .00121 -.00038 .00023 -.00009 |
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O10 .5954 .2873 .1585 .73 .00098 .00787 .00124 -.00004 -.00010 -.00024 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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