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Clinokurchatovite |
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Callegari A, Mazzi F, Tadini C |
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European Journal of Mineralogy 15 (2003) 277-282 |
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Modular aspects of the crystal structures of kurchatovite and clinokurchatovite |
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Locality: Sayak, Kazackhstan |
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_database_code_amcsd 0006974 |
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12.329 11.146 5.519 90 101.62 90 P2_1/c |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .08978 .87289 .15611 .62 .0072 .0072 .0091 .0008 .0019 .0006 |
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Ca2 .40702 .11837 .86805 .64 .0067 .0077 .0095 .0006 .0006 -.0011 |
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Mg1 .2373 .1279 .2478 .51 .0063 .0071 .0061 -.0002 .0017 .0000 |
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Mg2 .2643 .8721 .7546 .51 .0059 .0073 .0064 -.0002 .0013 .0001 |
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B1 .1739 .1246 .7014 .54 .0060 .0081 .0064 -.0004 .0012 .0016 |
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B2 .3273 .8835 .2891 .55 .0071 .0075 .0061 .0009 .0012 -.0016 |
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B3 .0105 .1195 .3531 .57 .0058 .0068 .0092 -.0001 .0018 -.0013 |
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B4 .4913 .8757 .6263 .54 .0059 .0069 .0072 -.0009 -.0003 .0007 |
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O1 .2179 .1975 .8926 .67 .0089 .0082 .0081 -.0016 .0013 -.0009 |
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O2 .2688 .8045 .4026 .62 .0083 .0082 .0072 -.0022 .0019 .0005 |
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O3 .2392 .0495 .5969 .65 .0095 .0085 .0072 .0011 .0026 .0001 |
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O4 .2748 -.0444 .1015 .60 .0083 .0089 .0054 .0018 .0006 .0002 |
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O5 .0576 .1278 .6089 .73 .0068 .0142 .0068 .0005 .0013 -.0026 |
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O6 .4431 .8898 .3707 .72 .0056 .0159 .0054 -.0003 .0000 .0012 |
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O7 .0692 .0821 .1837 .61 .0071 .0090 .0073 .0006 .0022 -.0012 |
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O8 .4337 -.0936 .8033 .61 .0058 .0108 .0067 .0007 .0016 -.0006 |
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O9 .0956 .8412 .7142 .70 .0052 .0091 .0120 .0013 .0006 -.0004 |
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O10 .4045 .1694 .3183 .72 .0052 .0091 .0125 .0007 .0005 -.0004 |
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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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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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Clinokurchatovite |
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Simonov M A, Egorov-Tismenko Y K, Yamnova M A, Belokoneva E L, Belov N V |
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Soviet Physics Doklady 25 (1980) 1125-1128 |
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Crystal structure of natural monoclinic kurchatovite |
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Ca2(Mg0.86Fe0.14)(Mg0.92Fe0.08)[B2O5]2 |
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_database_code_amcsd 0015608 |
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12.45 5.514 11.145 90 90 104.13 P2_1/b |
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atom x y z occ Biso |
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Ca1 .58981 .93362 .37295 .6 |
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Ca2 .09302 .46114 .38168 .63 |
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Mg1 .26278 .5108 .12778 .86 .31 |
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Fe1 .26278 .5108 .12778 .14 .31 |
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Mg2 .76430 .0096 .12796 .92 .28 |
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Fe2 .76430 .0096 .12796 .08 .28 |
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B1 .8272 .0384 .3833 .58 |
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B2 .3263 .5284 .3758 .6 |
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B3 .9913 .3647 .1243 .63 |
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B4 .4892 .8412 .1199 .6 |
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O1 .4422 .5513 .3721 .75 |
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O2 .9433 .0723 .3902 .71 |
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O3 .4307 .6151 .0817 .68 |
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O4 .0953 .4133 .1696 .76 |
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O5 .9338 .1314 .0932 .69 |
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O6 .7750 .1730 .4555 .73 |
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O7 .7690 .8664 .3047 .68 |
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O8 .2822 .6744 .3023 .67 |
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O9 .2605 .3580 .4503 .69 |
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O10 .5956 .8817 .1592 .74 |
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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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