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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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Jarandolite |
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Yamnova N A, Egorov-Tismenko Y K, Malinko S V, Pushcharovskii D Y, Dorokhova G I |
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Crystallography Reports 39 (1994) 991-993 |
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Crystal structure of a new natural calcium hydroborate Ca[B3O4(OH)3] |
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Locality: Belgrade, Serbia, Yugoslavia |
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_database_code_amcsd 0012346 |
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8.386 8.142 7.249 90 98.33 90 P2_1/a |
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atom x y z Biso |
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Ca .88831 .20828 .07616 .68 |
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B1 .6681 .0390 .3110 .56 |
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B2 .1132 .1480 .7794 .62 |
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B3 .2169 .1918 .4853 .63 |
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Oh1 .6183 .2230 .9246 .72 |
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O2 .2546 .0447 .8317 .64 |
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O3 .7406 .2073 .3394 .77 |
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Oh4 .4944 .0555 .2452 .70 |
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Oh5 .9640 .0463 .7963 .89 |
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O6 .1050 .2244 .5980 .87 |
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O7 .3073 .0505 .5092 .71 |
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H1 .435 .059 .334 2.7 |
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H2 .897 .040 .699 3.7 |
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H3 .586 .126 .870 7.0 |
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Nefedovite |
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Sebals M, Dorokhova G I, Pobedimskaya E A, Khomyakov A P |
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Doklady Akademii Nauk SSSR 278 (1984) 353-357 |
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The crystal structure of nefedovite and its typomorphism |
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_database_code_amcsd 0012476 |
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11.644 11.644 5.396 90 90 90 I-4 |
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atom x y z Biso |
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Na1 .0943 .3886 -.008 1.23 |
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Na2 0 0 .5 1.1 |
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Ca .1786 .1114 .0181 .38 |
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P .1045 .2499 .4898 .42 |
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O1 .0385 .2168 .256 .8 |
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O2 .1036 .3805 .523 1.08 |
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O3 .2277 .2079 .454 .71 |
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O4 .0498 .1943 .721 .86 |
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F 0 0 0 .9 |
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Bystrite |
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Pobedimskaya E A, Terent'eva L E, Sapozhnikov A N, Kashaev A A, Dorokhova G I |
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Doklady Akademii Nauk SSSR 319 (1991) 873-878 |
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Crystal structure of bystrite |
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_database_code_amcsd 0012484 |
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12.859 12.859 10.697 90 90 120 P31c |
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atom x y z occ Biso |
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Ca 0 0 0 .94 .86 |
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Na1 .136 .289 .258 .30 2.06 |
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K1 .136 .289 .258 .10 2.06 |
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Na2 .028 .512 .025 .60 1.84 |
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K2 .028 .512 .025 .20 1.84 |
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Na3 .388 .192 .777 .45 1.92 |
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K3 .388 .192 .777 .15 1.92 |
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Na4 2/3 1/3 .229 .75 2.16 |
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K4 2/3 1/3 .229 .25 2.16 |
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Si1 .2538 .2519 .0142 .51 .93 |
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Al1 .2538 .2519 .0142 .49 .93 |
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Si2 .6705 .0809 .2597 .51 .50 |
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Al2 .6705 .0809 .2597 .49 .50 |
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Si3 .0799 .4149 .7601 .51 .84 |
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Al3 .0799 .4149 .7601 .49 .84 |
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Si4 .2571 .0022 .0143 .51 .18 |
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Al4 .2571 .0022 .0143 .49 .18 |
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O1 .346 .011 .398 1.83 |
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O2 .238 .119 -.017 2.71 |
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O3 .679 .002 .149 .71 |
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O4 .659 .013 .401 1.45 |
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O5 .229 .116 .505 1.85 |
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O6 .074 .539 .740 1.04 |
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O7 .225 .451 .767 2.23 |
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O8 -.004 .306 .153 1.91 |
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S1 .551 .269 .744 .40 3.05 |
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S2 .582 .276 .527 .23 .74 |
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S3 .588 .284 -.014 .25 1.49 |
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S4 .616 .263 .904 .30 2.75 |
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Cl 0 0 .245 .48 2.24 |
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Wat9 0 0 .753 .48 1.47 |
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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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