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Fluor-liddicoatite |
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Rozhdestvenskaya I V, Bronzova Y M, Frank-Kamenetskaya O V |
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Zolotarev A A, Kuznetsova L G, Bannova I I |
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Crystallography Reports 53 (2008) 223-227 |
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Refinement of the crystal structure of calcium-lithium-aluminum tourmaline |
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from the pegmatite vein in the Sangilen Upland (Tuva Republic) |
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Locality: Sangilen Upland, Tuva Republic |
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_database_code_amcsd 0012397 |
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15.894 15.894 7.115 90 90 120 R3m |
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atom x y z occ Uiso |
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CaX 0 0 .2289 .62 .0130 |
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NaX 0 0 .2289 .32 .0130 |
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AlY .12379 .06190 .6319 .36 .0044 |
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LiY .12379 .06190 .6319 .33 .0044 |
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FeY .12379 .06190 .6319 .22 .0044 |
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MgY .12379 .06190 .6319 .08 .0044 |
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TiY .12379 .06190 .6319 .01 .0044 |
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AlZ .29735 .26050 .6113 .0052 |
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SiT .19223 .19026 0 .0044 |
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B .1094 .2188 .4533 .0058 |
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FO1 0 0 .7861 .84 .0330 |
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OH11 .0329 .0165 .797 .05 .0100 |
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O2 .0600 .1200 .4784 .0151 |
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O3 .2702 .1351 .5097 .0084 |
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O4 .0921 .1842 .0727 .0087 |
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O5 .1840 .0920 .0947 .0087 |
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O6 .1968 .1868 .7754 .0067 |
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O7 .2859 .2857 .0813 .0060 |
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O8 .2097 .2702 .4408 .0069 |
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H .252 .126 .415 .76 .0400 |
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Fenaksite |
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Rozhdestvenskaya I V, Bannova I I, Nikishova L V, Soboleva T V |
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Doklady Earth Sciences 398 (2004) 1029-1033 |
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The crystal structure of fenaksite K2Na2Fe2Si8O20 |
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Locality: synthetic |
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_database_code_amcsd 0012511 |
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8.142 9.954 6.983 100.21 114.13 105.87 P-1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K .20125 .00942 .34106 .0209 .0144 .0211 .0267 .00604 .00859 .0108 |
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Na .1435 .41038 .6660 .0229 .0414 .0122 .0146 .0061 .0153 .0058 |
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Fe .10795 .40673 .15634 .00999 .01053 .00853 .01067 .00341 .00556 .00201 |
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Si1 .35852 .72997 .12574 .00796 .0086 .0084 .0071 .00258 .00432 .00301 |
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Si2 .35887 .72840 .55640 .00859 .0097 .0086 .0066 .00238 .00415 .00198 |
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Si3 .17367 .86816 .79338 .00833 .0102 .0060 .0089 .00332 .00454 .00243 |
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Si4 .69635 .78618 .03015 .00750 .0080 .0063 .0086 .00310 .00425 .00228 |
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O1 .5496 .7112 .1197 .0165 .0159 .0206 .0249 .0104 .0156 .0141 |
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O2 .3257 .86531 .0326 .0131 .0150 .0100 .0113 .0040 .0037 .0051 |
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O3 .4215 .7940 .3874 .0140 .0165 .0141 .0076 .0002 .0069 .0021 |
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O4 .1697 .58196 .9953 .0114 .0104 .0084 .0125 .0025 .0040 .0028 |
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O5 .2184 .5602 .4568 .0178 .0245 .0094 .0122 .0017 .0090 .0005 |
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O6 .4331 .2302 .2272 .0171 .0138 .0256 .0091 .0073 .0032 .0058 |
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O7 .7464 .1660 .3816 .0172 .0235 .0226 .0159 .0155 .0137 .0089 |
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O8 .0438 .2395 .2994 .0154 .0117 .0120 .0190 .0012 .0056 .0071 |
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O9 .8101 .96193 .1744 .0166 .0156 .0062 .0199 .0043 .0024 .0012 |
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O10 .8553 .71690 .0685 .0124 .0128 .0121 .0153 .0080 .0077 .0039 |
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Volborthite |
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Kashaev A A, Rozhdestvenskaya I V, Bannova I I, Sapozhnikov A N, Glebova O D |
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Journal of Structural Chemistry 49 (2008) 708-711 |
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Balance, uniformity, and asymmetry of the structure of volborthite |
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Cu3(OH)2(V2O7)*2H2O |
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Locality: not given |
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_database_code_amcsd 0018692 |
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10.646 5.867 14.432 90 95.19 90 Ia |
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atom x y z Uiso |
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Cu1 0 .7492 0 .0076 |
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Cu2 .24954 0 .49886 .0063 |
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Cu3 .24380 .4905 .50135 .0088 |
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V1 .00232 .2738 .87181 .0061 |
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V2 .49457 .7720 .12562 .0061 |
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O1 .5705 .0098 .0878 .0087 |
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O2 -.0678 .5021 .9140 .0140 |
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O3 .3389 .7459 .5761 .0066 |
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O4 .1558 .2439 .4252 .0133 |
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O5 .0772 .4606 .0997 .0136 |
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O6 .4262 .9532 .8983 .0114 |
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O7 .5011 .7960 .2483 .0195 |
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O-H1 .1585 .7517 .9391 .0098 |
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O-H2 .3438 .2534 .0561 .0046 |
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OW1 .3193 .2295 .7375 .032 |
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OW2 .1688 .7522 .2586 .050 |
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H1 .661 .247 .379 .017 |
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H2 .352 .242 .138 .018 |
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H3 .857 .848 .289 .084 |
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H4 .808 .865 .781 .038 |
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H5 .625 .167 .201 .063 |
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H6 .170 .620 .215 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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