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Cobaltarthurite |
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Raudsepp M, Pani E |
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The Canadian Mineralogist 40 (2002) 733-737 |
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The crystal structure of cobaltarthurite, CoFe2(AsO4)2(OH)2.4H2O: |
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A Rietveld refinement |
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_database_code_amcsd 0005772 |
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10.2694 9.6790 5.5723 90 94.277 90 P2_1/c |
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atom x y z occ Biso |
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CoM(2) 0 0 0 .59 .72 |
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MgM(2) 0 0 0 .27 .72 |
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MnM(2) 0 0 0 .08 .72 |
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NiM(2) 0 0 0 .02 .72 |
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CuM(2) 0 0 0 .02 .72 |
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CaM(2) 0 0 0 .02 .72 |
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FeM(1) .4554 .1357 .3405 .34 |
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AsT .2968 .4293 .3279 .99 .35 |
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PT .2968 .4293 .3279 .005 .35 |
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ST .2968 .4293 .3279 .005 .35 |
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O(1) .397 .488 .118 .59 |
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O(2) .360 .491 .594 .63 |
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O(3) .148 .494 .240 .87 |
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O(4) .303 .253 .323 .66 |
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OH .540 .228 .080 .61 |
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OW(1) .126 .909 .296 1.34 |
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OW(2) .050 .190 .150 1.46 |
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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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Cobaltarthurite |
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Kampf A R |
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The Canadian Mineralogist 43 (2005) 1387-1391 |
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The crystal structure of cobaltarthurite from the Bou Azzer district, Morocco: |
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The location of hydrogen atoms in the arthurite structure-type |
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Locality: Bou Azzer district, Morocco |
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_database_code_amcsd 0006049 |
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10.2635 9.7028 5.5711 90 94.2070 90 P2_1/c |
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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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Co2+ 0 0 0 .0107 .0100 .0118 .0106 -.0023 .0020 -.0017 |
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Fe3+ .4561 .1363 .3397 .0075 .0091 .0075 .0059 .0000 .0008 .0003 |
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As .2973 .4277 .3278 .0074 .0074 .0087 .0062 .0001 .0011 -.0001 |
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O1 .3989 .4848 .1178 .0097 .0116 .0113 .0067 -.0032 .0038 -.0004 |
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O2 .3558 .4897 .5995 .0095 .0117 .0088 .0077 .0002 -.0009 -.0013 |
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O3 .1483 .4904 .2594 .0136 .0086 .0187 .0136 .0034 .0016 .0030 |
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O4 .2970 .2542 .3204 .0109 .0119 .0091 .0117 -.0006 .0010 -.0013 |
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OH .5417 .2328 .0783 .0110 .0120 .0116 .0099 .0030 .0040 .0021 |
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OW1 .1289 .9062 .2936 .0203 .0190 .0258 .0164 -.0021 .0029 -.0013 |
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OW2 .0460 .1903 .1361 .0243 .0206 .0189 .0334 -.0028 .0021 -.0142 |
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H .5816 .1789 .9815 .05 |
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H11 .1991 .9085 .2478 .05 |
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H12 .1252 .9326 .4318 .05 |
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H21 .1096 .2173 .2328 .05 |
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H22 .9839 .2383 .1819 .05 |
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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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