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Calciotantite |
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Cooper M A, Hawthorne F C, Cerny P |
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The Canadian Mineralogist 37 (1999) 1289-1294 |
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Ta-Nb order in the crystal structure of niobium-rich calciotantite |
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_database_code_amcsd 0005632 |
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6.2261 6.2261 12.280 90 90 120 P6_322 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ta1 .35938 .35938 1/2 .698 .0076 .0090 .0090 .0070 .0063 -.0001 .0001 |
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Nb1 .35938 .35938 1/2 .302 .0076 .0090 .0090 .0070 .0063 -.0001 .0001 |
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Ta2 1/3 2/3 1/4 .727 .0082 .0091 .0091 .0062 .0046 0 0 |
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Nb2 1/3 2/3 1/4 .273 .0082 .0091 .0091 .0062 .0046 0 0 |
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Ca 2/3 1/3 1/4 .0065 .0069 .0069 .0058 .0035 0 0 |
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O1 .3757 .4304 .3440 .0097 .0099 .0121 .0075 .0057 .0010 .0025 |
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O2 .7532 .7532 1/2 .0131 .0154 .0154 .0142 .0120 .0006 -.0006 |
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O3 1/3 2/3 .5339 .0092 .0075 .0075 .0127 .0037 0 0 |
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Calciotantite |
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Yamnova N A, Pushcharovsky D Yu, Voloshin A V |
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Soviet Physics Crystallography 33 (1988) 498-499 |
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Identity of ungursaite with calciotantite and synthetic CaTa4O11 |
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Locality: Kola Peninsula, Russia |
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Note: displacement parameters taken from ICSD |
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_database_code_amcsd 0015587 |
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6.245 6.245 12.323 90 90 120 P6_322 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca 1/3 2/3 .75 .94 .35 .002735 .002735 .000659 .001368 0 0 |
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Na 1/3 2/3 .75 .06 .35 .002735 .002735 .000659 .001368 0 0 |
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Ta1 .35897 0 0 .186 .002222 .000598 .000313 .000342 -.000188 -.000075 |
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Ta2 1/3 2/3 .25 .86 .22 .001880 .001880 .000362 .000940 0 0 |
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Nb2 1/3 2/3 .25 .13 .22 .001880 .001880 .000362 .000940 0 0 |
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O1 .375 .943 .1554 .995 .4 .005128 .004274 .000329 .003419 .000750 .001125 |
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O2 .757 0 0 .1 .001709 .000000 .000329 .000000 .003376 .001500 |
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O3 1/3 2/3 .9663 .1 .000855 .000855 .000000 .000513 0 0 |
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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 (permalink)
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