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Jaffeite |
 |
Yamnova N A, Sarp K, Egorov-Tismenko Y K, Pushcharovskii D Y |
| |
Crystallography Reports 38 (1993) 464-467 |
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Crystal structure of jaffeite |
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Locality: metamorphic rocks, Kombat region, Namibia |
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_database_code_amcsd 0012342 |
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10.035 10.035 7.499 90 90 120 P3 |
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atom x y z Biso |
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Ca1 .6689 .0455 -.0121 .07 |
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Ca2 .6665 .0426 .4987 1.0 |
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Ca3 .0492 .3886 .2413 .7 |
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Ca4 .0397 .3738 .7431 1.5 |
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Si1 2/3 1/3 .7106 .70 |
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Si2 2/3 1/3 .2658 1.23 |
|
Si3 1/3 2/3 .0246 .61 |
|
Si4 1/3 2/3 .4609 .19 |
|
O1 2/3 1/3 .500 3.1 |
|
O2 1/3 2/3 .254 2.3 |
|
O3 .5960 .147 .229 .9 |
|
O4 .5910 .1475 .765 1.3 |
|
O5 .1592 .5556 -.023 .5 |
|
O6 .1564 .5594 .519 1.0 |
|
Oh7 .2229 .3028 .256 .5 |
|
Oh8 .2087 .2681 .742 1.8 |
|
Oh9 .9278 .2062 .003 .8 |
|
Oh10 .9278 .2072 .4933 1.1 |
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H1 .152 .158 .733 4.5 |
|
H2 .158 .004 .003 4.5 |
|
H3 .167 .014 .506 4.5 |
|
H4 .148 .161 .231 4.5 |
|
|
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| |
|
Studenitsite |
|
Yamnova N A, Egorov-Tismenko Yu K, Pushcharovskii D Yu, Malinko S V, Dorokhova G I |
| |
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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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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|
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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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|
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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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|
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Yegorovite |
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Zubkova N V, Pekov I V, Pushcharovskii D Y, Kazantsev S S |
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Doklady Earth Sciences 427 (2009) 814-818 |
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Crystal structure of yegorovite Na4[Si4O8(OH)4]*7H2O |
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Locality: Lovozero alkaline complex, Kola Peninsula, Russia |
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_database_code_amcsd 0012513 |
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9.8744 12.3981 14.8973 90 104.675 90 P2_1/c |
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atom x y z Uiso |
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Na1 .0532 .6184 .06992 .0275 |
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Na2 .7635 .8608 .05829 .0286 |
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Na3 .3045 .8923 .07159 .0311 |
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Na4 .4902 .6251 .05502 .0298 |
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Si1 .59375 .82135 .22737 .0138 |
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Si2 .85409 .68222 .23240 .0125 |
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Si3 .34122 .67253 .23305 .0138 |
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Si4 .10049 .83149 .23761 .0152 |
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O1 .0665 .4265 .0859 .0279 |
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H1a .033 .412 .125 .005 |
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H1b .134 .463 .106 .04 |
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O2 .6751 .6900 .0002 .0282 |
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H2a .673 .675 -.056 .03 |
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H2b .690 .640 .046 .15 |
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O3 .9783 .7937 .0089 .0388 |
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H3a .027 .851 .045 .05 |
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H3b .958 .809 -.059 .034 |
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O4 .3337 .7544 -.0283 .0365 |
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H4a .252 .724 -.062 .08 |
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H4b .389 .783 -.064 .10 |
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O5 .3959 .6184 .3321 .0195 |
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O6 .9024 .6274 .3312 .0165 |
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O7 .1549 .8839 .3376 .0223 |
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O8 .6507 .8788 .3248 .0249 |
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O9 .8697 .6008 .1481 .0170 |
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H9 .867 .540 .157 .003 |
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O10 .9385 .7913 .2161 .0199 |
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O11 .4369 .7711 .2109 .0218 |
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O12 .5796 .9035 .1385 .0234 |
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H12 .629 .947 .170 .10 |
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O13 .6876 .7188 .2082 .0181 |
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O14 .1833 .7219 .2185 .0185 |
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O15 .8270 .0419 .0922 .0290 |
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H15a .908 .073 .120 .005 |
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H15b .746 .058 .107 .08 |
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O16 .3241 .5891 .1458 .0201 |
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H16 .346 .5312 .148 .018 |
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O17 .1186 .9136 .1562 .0210 |
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H17 .123 .971 .172 .09 |
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O18 .5769 .4585 .1060 .0303 |
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H18a .658 .452 .110 .04 |
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H18b .535 .428 .137 .018 |
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O19 .3282 .0756 .0944 .0254 |
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H19a .405 .095 .123 .03 |
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H19b .261 .117 .117 .10 |
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|
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Arrojadite-(KFe) |
| |
Krutik V M, Pushcharovskii D Y, Podebimskaya E A, Belov N V |
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Kristallografiya 24 (1979) 743-750 |
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Crystal structure of arrojadite |
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Locality: Nickel Plate mine, South Dakota, USA |
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_database_code_amcsd 0014185 |
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16.476 24.581 9.996 90 90 105.79 B2/b |
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atom x y z occ Biso |
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FeX1 .4664 .6001 .2550 .84 |
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FeX2 .4783 .5969 .7497 1.42 |
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FeX3 .2958 .6478 .2986 1.12 |
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FeX4 .2816 .6570 .7057 1.58 |
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MnX5 .2882 .7327 -.0113 1.02 |
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FeX6 .3936 .3601 .0155 .86 |
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FeX7 .2218 .4761 .3920 1.52 |
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AlX8 0 0 0 .85 |
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NaA1 0 .25 -.0018 .25 .71 |
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KA1 0 .25 -.0018 .25 .71 |
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BaA1 0 .25 -.0018 .25 .71 |
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SrA1 0 .25 -.0018 .25 .71 |
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NaA2 .5 .5 0 1.81 |
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NaA3 .1331 .1207 .0155 .5 .89 |
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CaA3 .1331 .1207 .0155 .5 .89 |
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P1 .3734 .4606 .2512 .37 |
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P2 .3694 .5765 .5340 .51 |
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P3 .3569 .2946 .3004 .64 |
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P4 .3704 .2879 .7260 .47 |
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P5 .3864 .6298 -.0102 2.12 |
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P6 .3981 .4523 .7684 .55 |
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O1 .3913 .5197 .1878 .94 |
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O2 .2766 .4363 .2568 1.46 |
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O3 .4146 .4236 .1662 .70 |
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O4 .4043 .4631 .3958 .68 |
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O5 .2908 .0285 .4631 1.64 |
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O6 .1201 .3904 .0975 1.24 |
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O7 .3703 .6138 .6580 1.06 |
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O8 .4491 .5549 .5561 .47 |
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O9 .4414 .3348 .3465 1.10 |
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O10 .2824 .3170 .3583 1.49 |
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O11 .3491 .2354 .3548 1.83 |
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O12 .3518 .2941 .1418 .85 |
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O13 .4534 .3293 .6754 1.18 |
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O14 .2938 .3062 .6665 1.29 |
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O15 .3683 .2291 .6744 1.14 |
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O16 .1298 .2105 .3813 1.86 |
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O17 .3882 .6380 .1392 1.10 |
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O18 .4748 .1320 .0630 .89 |
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O19 .3545 .1765 .0799 2.04 |
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O20 .3179 .0741 .0405 .34 4.05 |
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OH20 .3179 .0741 .0405 .33 4.05 |
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F20 .3179 .0741 .0405 .33 4.05 |
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O21 .0457 .0486 .1463 .49 |
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O22 .0640 .0800 .3704 .79 |
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O23 .1952 .0766 .2340 1.02 |
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O24 .4053 .0133 .1853 .34 1.02 |
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OH24 .4053 .0133 .1853 .33 1.02 |
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F24 .4053 .0133 .1853 .33 1.02 |
|
F25 .2311 .1392 .4979 1.41 |
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|
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|
| |
|
Koragoite |
| |
Yamnova N A, Pushcharovskii D Yu, Voloshin A V |
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Kristallografiya 40 (1995) 469-475 |
|
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 |
|
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 |
|
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 |
|
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 |
|
O17 .455 .079 .825 .9 |
|
O18 .339 .962 .934 .2 |
|
O19 .047 .634 .674 .4 |
|
O20 .454 .562 .057 1.4 |
|
|
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|
| |
|
Rouvilleite |
|
Yamnova N A, Pushcharovskii D Yu, Khomyakov A P, Vyatkin S V |
| |
Soviet Physics - Crystallography 36 (1991) 14-16 |
|
Crystal structure of the new natural fluorocarbonate Na3Ca(Mn,Ca)(CO3)3F |
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Locality: hydrothermalites, Lovozero alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0015588 |
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8.012 15.79 7.019 90 100.78 90 Cc |
|
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 |
|
Mn2 .4425 .81066 .0333 .439 1.28 |
|
Ca2 .4425 .81066 .0333 .361 1.28 |
|
Fe2 .4425 .81066 .0333 .060 1.28 |
|
Y2 .4425 .81066 .0333 .034 1.28 |
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Dy2 .4425 .81066 .0333 .020 1.28 |
|
C1 .2438 .3074 .3029 1.1 |
|
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 |
|
O2 .1043 .6556 .3124 1.7 |
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O3 .2626 .9199 -.0235 2.2 |
|
O4 .2278 .9413 .4665 2.2 |
|
O5 .3839 .6597 .3878 2.5 |
|
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 |
|
O9 .1240 .3628 .2954 1.9 |
|
F .3651 .4995 .1347 .987 1.37 |
|
|
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|
| |
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Revdite |
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Rastsvetaeva R K, Mikheeva M G, Yamnova N A, Pushcharovskii D Yu, Khomyakov A P |
| |
Soviet Physics - Crystallography 37 (1992) 632-636 |
|
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 |
|
_database_code_amcsd 0015591 |
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53.83 9.972 6.907 90 96.78 90 C2 |
|
atom x y z Biso |
|
Si1 .2025 .208 .680 .7 |
|
Si2 .2997 .492 -.010 1.6 |
|
Si3 .2727 .498 .573 1.6 |
|
Si4 .4522 .465 .680 3.0 |
|
Si5 .4528 .028 .679 2.6 |
|
Si6 .4528 .244 -.008 2.3 |
|
Si7 .2973 .282 .319 1.2 |
|
Si8 .4741 .247 .430 2.4 |
|
Na1 .3658 .489 .128 3.1 |
|
Na2 .2082 .489 .957 2.8 |
|
Na3 .1302 .492 .833 2.3 |
|
Na4 .3830 .250 .867 2.0 |
|
Na5 .0463 .245 .014 2.9 |
|
Na6 .5 .492 0 1.9 |
|
Na7 .1175 .254 .134 2.5 |
|
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 |
|
OH2 .2427 .489 .502 .8 |
|
OH3 .1727 .235 .602 1.9 |
|
Wat4 .2762 .153 .790 2.5 |
|
OH5 .1184 .505 .202 1.9 |
|
OH6 .0750 .497 .370 2.5 |
|
OH7 .2796 .146 .274 1.3 |
|
O8 .2920 .366 .105 .6 |
|
OH9 .3813 .491 .802 2.0 |
|
OH10 .3661 .256 .186 1.7 |
|
OH11 .1327 .258 .806 2.2 |
|
OH12 .4244 .493 .632 1.9 |
|
O13 .3265 .502 .948 1.4 |
|
Wat14 .4133 .496 .216 2.7 |
|
Wat15 .3510 .495 .448 3.1 |
|
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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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Mineevite-(Y) |
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Yamonva N A, Pushcharovskii D Y, Vyatkin S V, Khomyakov A P |
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Soviet Physics - Crystallography 37 (1992) 753-756 |
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Crystal structure of the new native sulfate-carbonate |
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Na25BaTR2(CO3)11(HCO3)4(SO4)2F2Cl |
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Locality: Lovozero pegmatites, Kola peninsula, Russia |
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Note: OH occupancies chosen to reproduce chemical formula |
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_database_code_amcsd 0015592 |
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8.811 8.811 37.03 90 90 120 P6_3/m |
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atom x y z occ Biso |
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Na1 .0995 .4478 .0333 .5 |
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Na2 .0989 .4497 .3249 1.1 |
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Na3 1/3 2/3 .6916 .3 |
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Na4 .1123 .6707 .6064 .9 |
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Na5 .357 .377 .25 .8 |
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Na6 0 0 .3974 .7 |
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Ba 0 0 0 .48 |
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Y 0 0 .19842 .55 .50 |
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Gd 0 0 .19842 .25 .50 |
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Dy 0 0 .19842 .2 .50 |
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C1 .077 .348 .5465 .3 |
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C2 .355 .072 .25 .2 |
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C3 .069 .316 .6628 .2 |
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S 1/3 2/3 .3930 .1 |
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O1 .251 .113 .0594 .75 .7 |
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OH1 .251 .113 .0594 .25 .7 |
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O2 .224 .088 .1509 .1 |
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O3 .092 .656 .7202 .9 |
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O4 .109 .466 .6493 .5 |
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O5 .186 .025 .25 2/3 .7 |
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OH5 .186 .025 .25 1/3 .7 |
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O6 .332 .038 .5230 .4 |
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O7 .150 .510 .5591 .75 .3 |
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OH7 .150 .510 .5591 .25 .3 |
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O8 .248 .292 .3106 .1 |
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O9 .187 .496 .4058 .9 |
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O10 1/3 2/3 .3519 .2 |
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F 1/3 2/3 .5022 .2 |
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Cl 1/3 2/3 .25 .9 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Legrandite |
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Pushcharovskii D Y, Pobedimskaya E A, Belov N V |
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Soviet Physics - Doklady 16 (1971) 419-421 |
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The crystal structure of legrandite Zn2[AsO4]OH*H2O |
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Locality: Ojuela mine, Mexico |
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_database_code_amcsd 0015593 |
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12.76 7.93 10.21 90 104.4 90 P2_1/c |
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atom x y z |
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Zn1 .362 .305 .128 |
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Zn2 .747 .331 .038 |
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Zn3 .990 .242 .059 |
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Zn4 .596 .049 .111 |
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As1 .850 .055 .281 |
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As2 .615 .422 .285 |
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O1 .642 .337 .448 |
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O2 .268 .454 .256 |
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O3 .866 .181 .156 |
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O4 .659 .285 .186 |
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O5 .050 .406 .206 |
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O6 .860 .158 .419 |
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O7 .318 .100 .210 |
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O8 .475 .446 .241 |
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OH1 .272 .080 .467 |
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OH2 .442 .343 .514 |
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Wat1 .088 .234 .435 |
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Wat2 .077 .030 .142 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ferronigerite-2N1S |
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Arakcheeva A V, Pushcharovskii D Y, Rastsvetaeva R K, Kashaev A A, Nadezhina T N |
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Kristallografiya 40 (1995) 639-644 |
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Crystal structure of nigerite-6H |
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Locality: Eastern Siberia, Irkutsk, Russia |
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_database_code_amcsd 0018796 |
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5.717 5.717 13.80 90 90 120 P-3m1 |
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atom x y z occ Biso |
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AlM1 0 0 .5 .35 |
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AlM2 .1691 .3377 .3306 .36 |
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AlT1 2/3 1/3 .4538 .20 .51 |
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FeT1 2/3 1/3 .4538 .44 .51 |
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ZnT1 2/3 1/3 .4538 .36 .51 |
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AlT2 0 0 .1235 .61 .42 |
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FeT2 0 0 .1235 .39 .42 |
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AlM3 .5 0 0 .75 .61 |
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Sn 2/3 1/3 .1872 .40 |
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O1 .2938 .1471 .4128 .64 |
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O2 1/3 2/3 .4027 .52 |
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O3 0 0 .2592 .43 |
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O4 .0121 .5061 .2604 .52 |
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O5 1/3 2/3 .0701 .62 |
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O6 .3518 .1759 .0846 .99 |
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H 1/3 2/3 .14 1.00 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Hydroxylchondrodite |
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Pekov I V, Gerasimova E I, Chukanov N V, Kabalov Y K, Zubkova N V, |
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Zadov A E, Yapaskurt V O, Gekimyants V M, Pushcharovskii D Y |
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Doklady Akademii Nauk 436 (2011) 526-532 |
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Hydroxylchondrodite Mg5(SiO4)2(OH)2: a new mineral of the humite group |
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and its crystal structure |
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Locality: Perovskitovaya Kop', Chuvashskie Mountains, Southern Urals, Russia |
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_database_code_amcsd 0018887 |
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7.880 4.726 10.290 90 109.04 90 P2_1/c |
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atom x y z occ Biso |
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Mg1 .5 .5 0 1.4 |
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Mg2 .3073 .016 .1753 1.0 |
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Mg3 .0780 .498 .8915 .85 .8 |
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Ti3 .0780 .498 .8915 .15 .8 |
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Si .7029 .0800 .1429 1.2 |
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O1 .294 .777 .003 1.0 |
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O2 .119 .712 .240 1.0 |
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O3 .530 .226 .163 1.2 |
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O4 .300 .262 .856 .8 |
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OH5 .098 .256 .051 .66 .8 |
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F5 .098 .256 .051 .12 .8 |
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O5 .098 .256 .051 .22 .8 |
|
|
| 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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