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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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Seidozerite |
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Pushcharovskii D Yu, Pasero M, Merlino S, Vladykin N V, Zubkova N V, |
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Gobechiya E R |
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Crystallography Reports 47 (2002) 196-200 |
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Crystal structure of zirconium-rich seidozerite |
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Locality: Burpala alkaline massif, Russia |
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_database_code_amcsd 0012377 |
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5.627 7.134 18.590 90 102.68 90 P2/c |
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atom x y z occ Uiso |
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Na1 .2051 .6157 .0695 .965 .0113 |
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Ca1 .2051 .6157 .0695 .035 .0113 |
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Na2 0 .6149 .25 .86 .0218 |
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Ca2 0 .6149 .25 .14 .0218 |
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Ca .5 .8656 .25 .340 .0332 |
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Mn .5 .8656 .25 .270 .0332 |
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Na .5 .8656 .25 .160 .0332 |
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Zr1 .2004 .1193 .07342 .8 .0097 |
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Ti1 .2004 .1193 .07342 .2 .0097 |
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Ti2 0 .1153 .25 .70 .0114 |
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Zr2 0 .1153 .25 .25 .0114 |
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Mn3 .5 .3566 .25 .58 .0174 |
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Na3 .5 .3566 .25 .25 .0174 |
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Ti3 .5 .3566 .25 .05 .0174 |
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Si1 .7273 .3872 .1046 .0100 |
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Si2 .7217 .8422 .1049 .0099 |
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O1 .738 .6135 .1096 .023 |
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O2 .451 .3264 .0680 .021 |
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O3 .440 .9015 .0763 .020 |
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O4 .927 .3267 .0586 .016 |
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O5 .904 .9073 .0518 .014 |
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O6 .797 .3154 .1900 .016 |
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O7 .817 .9141 .1888 .017 |
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O8 .240 .124 .1849 .019 |
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F .301 .600 .1922 .039 |
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Epididymite-potassian |
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Naumova I S, Pobedimskaya E A, Pushcharovskii D Yu, Belov N V |
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Altukhova Yu N |
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Doklady Akademii Nauk SSSR 229 (1976) 856-859 |
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Crystal structure of synthetic K2Be2Si6O15 of the epidimite group |
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Locality: synthetic |
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Note: c-cell edge altered to reproduce bond lengths |
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_database_code_amcsd 0012454 |
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7.485 15.453 11.418 90 90 90 Cmc2_1 |
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atom x y z Biso |
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K1 .5 .2818 .3619 2.48 |
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K2 .5 .3987 .084 .93 |
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Be1 .1489 .3798 .2275 .26 |
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Si1 .2117 .2095 .1336 .61 |
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Si2 .2046 .0556 .3103 .4 |
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Si3 0 .3497 .4659 .32 |
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Si4 0 .4545 .0009 .52 |
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O1 .322 .2 .0109 .67 |
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O2 .2583 .1291 .2164 1.35 |
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O3 .3245 .0764 .4296 .85 |
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O4 .2701 .2958 .1945 .72 |
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O5 .2704 .4623 .2631 1.16 |
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O6 0 .216 .0948 2.36 |
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O7 0 .4063 .1283 .68 |
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O8 0 .0715 .3518 .13 |
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O9 0 .3542 .332 .52 |
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O10 0 .4409 .5256 .95 |
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Tazheranite |
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Rastsvetaeva R K, Pushcharovskii D Yu, Spiridonov E M, Gekimyants V M |
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Doklady Akademii Nauk SSSR 359 (1998) 529-531 |
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Tazheranite and calzirtite: structural-mineralogical similarity and distinction |
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_database_code_amcsd 0012493 |
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5.111 5.111 5.111 90 90 90 Fm-3m |
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atom x y z occ |
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Ca4a 0 0 0 .22 |
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Ti4a 0 0 0 .22 |
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Zr4a 0 0 0 .56 |
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O8c .25 .25 .25 .89 |
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Koragoite |
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Yamnova N A, Pushcharovskii D Yu, Voloshin A V |
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Kristallografiya 40 (1995) 469-475 |
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Crystal structure of a new natural Mn, W-tantaloniobate |
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_database_code_amcsd 0014194 |
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24.73 5.056 5.760 90 103.5 90 P2_1 |
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atom x y z occ Biso |
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MnA1 .6025 .239 .760 .9 1.5 |
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FeA1 .6025 .239 .760 .1 1.5 |
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MnA2 .3011 .263 .970 2.4 |
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MnA3 .1010 .751 .449 .86 2.0 |
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TaB1 .80243 .2725 .9836 .652 .36 |
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WB1 .80243 .2725 .9836 .097 .36 |
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NbB2 .1979 .267 .3862 .20 |
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NbB3 .6992 .276 .3697 .83 |
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NbBA1 .1003 .2871 .7874 .8 1.11 |
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MnBA1 .1003 .2871 .7874 .2 1.11 |
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NbBA2 .3988 .267 .5824 .8 .56 |
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MnBA2 .3988 .267 .5824 .2 .56 |
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WC1 -.00066 .2875 .1645 .9 .35 |
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WC2 .50031 .2581 .1916 .81 .36 |
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TiC2 .50031 .2581 .1916 .09 .36 |
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O1 .446 .110 .301 1.7 |
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O2 .247 .117 .129 .5 |
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O3 .155 .449 .550 6.4 |
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O4 .446 .614 .545 1.4 |
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O5 .049 .131 .420 .6 |
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O6 .243 .627 .361 .1 |
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O7 .340 .461 .736 .6 |
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O8 .251 .101 .611 2.9 |
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O9 .156 .950 .275 .8 |
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O10 .350 .437 .201 1.0 |
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O11 .148 .938 .753 .8 |
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O12 .258 .603 .876 .9 |
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O13 .158 .476 .068 2.1 |
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O14 .045 .600 .144 .6 |
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O15 .355 .932 .446 .2 |
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O16 .050 .140 .950 4.3 |
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O17 .455 .079 .825 .9 |
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O18 .339 .962 .934 .2 |
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O19 .047 .634 .674 .4 |
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O20 .454 .562 .057 1.4 |
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Rouvilleite |
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Yamnova N A, Pushcharovskii D Yu, Khomyakov A P, Vyatkin S V |
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Soviet Physics - Crystallography 36 (1991) 14-16 |
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Crystal structure of the new natural fluorocarbonate Na3Ca(Mn,Ca)(CO3)3F |
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Locality: hydrothermalites, Lovozero alkaline massif, Kola Peninsula, Russia |
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_database_code_amcsd 0015588 |
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8.012 15.79 7.019 90 100.78 90 Cc |
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atom x y z occ Biso |
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Na1 .0597 .1096 .1825 1.30 |
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Na2 .0578 .8852 .1810 1.31 |
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Na3 .4247 .1741 .0201 2.06 |
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Ca1 .19231 .51002 .34615 .92 |
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Mn2 .4425 .81066 .0333 .439 1.28 |
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Ca2 .4425 .81066 .0333 .361 1.28 |
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Fe2 .4425 .81066 .0333 .060 1.28 |
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Y2 .4425 .81066 .0333 .034 1.28 |
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Dy2 .4425 .81066 .0333 .020 1.28 |
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C1 .2438 .3074 .3029 1.1 |
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C2 .2479 .6955 .3075 1.1 |
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C3 .3241 -.0050 -.0041 1.0 |
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O1 .4881 .0033 .0444 1.9 |
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O2 .1043 .6556 .3124 1.7 |
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O3 .2626 .9199 -.0235 2.2 |
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O4 .2278 .9413 .4665 2.2 |
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O5 .3839 .6597 .3878 2.5 |
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O6 .2460 .7662 .2233 1.8 |
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O7 .3916 .3217 .4061 2.1 |
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O8 .2131 .2381 .2085 2.0 |
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O9 .1240 .3628 .2954 1.9 |
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F .3651 .4995 .1347 .987 1.37 |
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Revdite |
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Rastsvetaeva R K, Mikheeva M G, Yamnova N A, Pushcharovskii D Yu, Khomyakov A P |
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Soviet Physics - Crystallography 37 (1992) 632-636 |
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Crystal structure of revdite Na16[Si4O6(OH)5]2[Si8O15(OH)6](OH)10*28H2O |
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Locality: synthetic |
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Note: changed Si6(z) sign and OH11(y) value to match reported bond distances |
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_database_code_amcsd 0015591 |
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53.83 9.972 6.907 90 96.78 90 C2 |
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atom x y z Biso |
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Si1 .2025 .208 .680 .7 |
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Si2 .2997 .492 -.010 1.6 |
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Si3 .2727 .498 .573 1.6 |
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Si4 .4522 .465 .680 3.0 |
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Si5 .4528 .028 .679 2.6 |
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Si6 .4528 .244 -.008 2.3 |
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Si7 .2973 .282 .319 1.2 |
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Si8 .4741 .247 .430 2.4 |
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Na1 .3658 .489 .128 3.1 |
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Na2 .2082 .489 .957 2.8 |
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Na3 .1302 .492 .833 2.3 |
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Na4 .3830 .250 .867 2.0 |
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Na5 .0463 .245 .014 2.9 |
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Na6 .5 .492 0 1.9 |
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Na7 .1175 .254 .134 2.5 |
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Na8 .5 .001 0 1.3 |
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Na9 .2507 .265 -.005 4.2 |
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Wat1 .0239 .252 .576 1.3 |
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OH2 .2427 .489 .502 .8 |
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OH3 .1727 .235 .602 1.9 |
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Wat4 .2762 .153 .790 2.5 |
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OH5 .1184 .505 .202 1.9 |
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OH6 .0750 .497 .370 2.5 |
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OH7 .2796 .146 .274 1.3 |
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O8 .2920 .366 .105 .6 |
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OH9 .3813 .491 .802 2.0 |
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OH10 .3661 .256 .186 1.7 |
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OH11 .1327 .258 .806 2.2 |
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OH12 .4244 .493 .632 1.9 |
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O13 .3265 .502 .948 1.4 |
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Wat14 .4133 .496 .216 2.7 |
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Wat15 .3510 .495 .448 3.1 |
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O16 .2081 .127 .852 2.9 |
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Wat17 .1015 .258 .451 2.5 |
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Wat18 .1528 .489 .553 2.9 |
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Wat19 .1602 .261 .226 3.0 |
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O20 .2776 .504 .810 1.6 |
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OH21 .3258 .248 .382 1.6 |
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Wat22 .0855 .505 .783 1.6 |
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Wat23 .3401 .261 .777 1.5 |
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Wat24 .4003 .252 .545 2.3 |
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O25 .2863 .369 .486 1.5 |
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Wat26 .1692 .512 .050 1.8 |
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O27 .2127 .135 .506 1.6 |
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OH28 .4211 .254 .046 4.1 |
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O29 .4593 .114 .885 2.8 |
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O30 .0283 .398 .257 2.9 |
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OH31 .2247 .342 .194 1.9 |
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O32 .4733 .238 .197 2.2 |
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O33 .2187 .339 .726 1.3 |
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O34 .4598 .378 .888 2.6 |
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Wat35 .0255 .394 .798 3.8 |
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O36 .4641 .114 .496 2.6 |
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O37 .4636 .382 .493 2.5 |
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Wat38 .0260 .097 .786 4.0 |
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OH39 .0282 .095 .257 3.6 |
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O40 .5 .241 .5 2.0 |
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Wat41 .0794 .248 .917 2.6 |
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