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Studenitsite |
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Yamnova N A, Egorov-Tismenko Yu K, Pushcharovskii D Yu, Malinko S V, Dorokhova G I |
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Crystallography Reports 38 (1993) 749-752 |
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Crystal structure of a new natural Na,Ca-hydroborate NaCa2[B9O14(OH)4]*2H2O |
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Locality: volcanic ash deposit, near Belgrade, Yugoslavia |
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_database_code_amcsd 0012343 |
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11.503 10.53 12.58 90 90 99.48 P2_1/b |
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atom x y z Biso |
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Na .5116 .9772 .1400 1.70 |
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Ca1 .12868 .46906 .12912 .67 |
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Ca2 .65432 .63452 .10010 .54 |
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B1 .9365 .6585 .0861 .69 |
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B2 .5695 .8145 .4313 .60 |
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B3 .8876 .8187 .2187 .67 |
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B4 .9475 .1739 .0212 .96 |
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B5 .5008 .2283 .2393 .53 |
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B6 .3906 .0966 .3796 .52 |
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B7 .9086 .2041 .8301 .72 |
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B8 .3112 .1061 .7287 .61 |
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B9 .2943 .2569 .2902 .70 |
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O1 .6084 .7987 .2141 .57 |
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O2 .4014 .3068 .2490 .78 |
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O3 .8105 .8688 .2814 .84 |
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O4 .4576 .1756 .4640 .77 |
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O5 .2818 .6498 .1470 .88 |
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O6 .6458 .4080 .1182 .72 |
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O7 .4695 .6038 .2101 .52 |
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O8 .5146 .2090 .1235 .81 |
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Oh9 .3499 .9626 .4144 .75 |
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O10 .0412 .1619 .3493 .80 |
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O11 .0365 .7775 .4802 .94 |
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O12 .1991 .3158 .2666 .92 |
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Oh13 .8824 .0290 .4430 1.07 |
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O14 .0062 .8582 .2344 .75 |
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Oh15 .6941 .0246 .2258 .87 |
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O16 .8506 .7266 .1427 .88 |
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O17 .8840 .1349 .9326 1.10 |
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Ow18 .2847 .1946 .0307 1.90 |
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Oh19 .9188 .1049 .1142 1.62 |
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Ow20 .6479 .0563 .9783 2.23 |
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H1 .138 .014 .603 4.3 |
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H2 .765 .054 .186 3.1 |
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H3 .721 .078 .967 5.2 |
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H4 .628 .090 .630 5.3 |
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H5 .978 .132 .167 6.7 |
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H6 .216 .144 .031 7.3 |
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H7 .359 .931 .953 14.7 |
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H8 .344 .168 .060 8.3 |
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Hexahydroborite |
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Simonov M A, Yamnova N A, Kazanskaya E V, Egorov-Tismenko Yu K, Belov N V |
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Doklady Akademii Nauk SSSR 228 (1976) 1337-1340 |
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Crystal structure of Ca(B(OH)4)2(H2O)2 |
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Note: Data is transformed from 1st setting to 2nd setting |
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_database_code_amcsd 0012453 |
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8.006 6.649 8.012 90 104.21 90 P2/a |
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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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Ca .75 -.0314 0 .86 .00327 .00486 .00431 0 .0011 0 |
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B .9313 -.7292 .8188 .97 .00352 .00458 .00468 .0007 -.0002 .0001 |
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O1 .8698 -.5229 .7785 1.45 .00618 .00514 .00775 .0000 .0015 .0002 |
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O2 .9665 -.7774 .0076 1.24 .00610 .00689 .00418 -.0017 .0009 .0000 |
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O3 .0982 -.7510 .7756 1.23 .00365 .00808 .00596 -.0013 .0008 .0013 |
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O4 .8073 -.8829 .7344 1.25 .00506 .00650 .00530 -.0022 .0000 -.0010 |
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O5 .9564 -.2111 .5788 1.88 .00809 .01283 .00613 .0005 .0013 .0012 |
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H1 .293 -.149 .339 8.3 |
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H2 .420 -.767 .344 5.4 |
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H3 .011 -.678 .081 6.2 |
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H4 .068 -.674 .379 8.3 |
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H5 .103 -.886 .381 8.2 |
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H6 .235 -.510 .216 4.4 |
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| Download AMC data (View Text File)
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Willemite |
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Simonov M A, Sandomirskii P A, Egorov-Tismenko Yu K, Belov N V |
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Doklady Akademii Nauk SSSR 237 (1977) 581-584 |
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The crystal structure of willemite Zn2[SiO4] |
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Locality: Franklin, New Jersey, USA |
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_database_code_amcsd 0018743 |
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13.971 13.971 9.334 90 90 120 R-3 |
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atom x y z Biso |
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Zn1 .1916 .2087 .5844 .66 |
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Zn2 .1921 .2155 .9185 .72 |
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Si .1963 .2118 .2510 .71 |
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O1 .1267 .2085 .1082 .85 |
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O2 .1295 .2059 .3955 .77 |
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O3 .1100 .2175 .7496 .80 |
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O4 .3165 .3215 .2493 .99 |
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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
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