American Mineralogist Crystal Structure Database

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Clinokurchatovite
Download hom/clinokurchatovite.pdf
Yakubovich O V, Yamnova N A, Shchedrin B M, Simonov M A, Belov N V
Soviet Physics Doklady 21 (1976) 294-295
Crystal structure of magnesium kurchatovite CaMg[B2O5]
Locality: Siberia, Russia
_database_code_amcsd 0015602
12.331 5.489 11.092 90 90 78.42 P2_1/b
atom      x     y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca1   .5899 .3431 .3729  .58 .00114 .00539 .00097 -.00042  .00007 -.00021
Ca2   .0929 .3679 .3816  .61 .00104 .00555 .00103 -.00002  .00008  .00028
Mg1   .2629 .2475 .1278  .23 .00047 .00166 .00041 -.00003 -.00002  .00006
Mg2   .7643 .2459 .1278  .30 .00064 .00204 .00058 -.00013  .00002 -.00017
B1    .8271 .2101 .3833  .63 .00159 .00362 .00118 -.00035  .00023  .00063
B2    .3256 .2013 .3752  .63 .00139 .00407 .00129 -.00051 -.00006 -.00047
B3   -.0092 .3729 .1237  .63 .00132 .00509 .00109 -.00018  .00008  .00038
B4    .4894 .3521 .1198  .65 .00106 .00644 .00110 -.00051  .00008  .00010
O1    .4424 .1099 .3716  .68 .00087 .00427 .00195 -.00024  .00009  .00056
O2    .9432 .1308 .3906  .65 .00098 .00435 .00200 -.00015 -.00004 -.00054
O3    .4305 .1833 .0824  .59 .00099 .00457 .00127 -.00020 -.00005 -.00051
O4    .0949 .3187 .1692  .76 .00097 .00816 .00126  .00003 -.00016 -.00036
O5    .9332 .1971 .0941  .62 .00130 .00473 .00116 -.00044  .00005 -.00054
O6    .7739 .3992 .4557  .58 .00113 .00412 .00116  .00013 -.00007  .00025
O7    .7686 .0961 .3003  .59 .00109 .00470 .00117 -.00048 -.00013  .00019
O8    .2813 .3936 .3016  .58 .00128 .00346 .00117 -.00010 -.00019  .00016
O9    .2602 .0961 .4503  .55 .00105 .00423 .00121 -.00038  .00023 -.00009
O10   .5954 .2873 .1585  .73 .00098 .00787 .00124 -.00004 -.00010 -.00024
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