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Kaatialaite |
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Boudjada A, Guitel J C |
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Acta Crystallographica B37 (1981) 1402-1405 |
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Structure cristalline d'un orthoarseniate acide de fer(III) pentahydrate: Fe(H2AsO4)3*5H2O |
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Locality: synthetic |
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Note: anisoB's from ICSD |
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15.25 19.600 4.72 90 91.8 90 P2_1/n |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe .2802 .17815 .6309 1.5 .00135 .00120 .01458 .00004 -.00003 .00014 |
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As1 .19740 .08334 .1240 1.39 .00136 .00102 .01488 -.00005 .00009 -.00014 |
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As2 .22209 .28278 .1129 1.43 .00147 .00106 .01444 .00014 -.00039 -.00022 |
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As3 .42678 .16266 .1394 1.5 .00109 .00130 .01482 .00008 .00008 .00001 |
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O11 .1846 .1397 .378 1.6 .00162 .00136 .0147 .00001 0 -.00023 |
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O12 .2682 .0953 -.128 1.7 .00240 .00123 .0121 -.00053 .0021 -.00100 |
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O13 .0932 .0738 -.008 2.7 .00170 .00258 .0277 .00003 -.0037 .0005 |
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O14 .2248 .0073 .269 2.4 .00248 .00135 .0338 -.00001 .0045 .00057 |
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O21 .1966 .2260 -.133 1.6 .00107 .00124 .0225 .00024 -.0002 .00067 |
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O22 .1238 .3106 .235 2.6 .00213 .00208 .0277 .00051 .0012 -.0022 |
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O23 .2866 .2622 .386 1.6 .00176 .00125 .0137 -.00003 -.0003 .00066 |
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O24 .2720 .3520 -.020 2.8 .00352 .00181 .0254 -.00008 -.0019 .0014 |
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O31 .3654 .1307 .388 1.4 .00106 .00105 .0171 .00019 .00046 .00004 |
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O32 .4857 .0974 .013 2.7 .00248 .00200 .0293 .00056 .0015 -.0012 |
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O33 .3797 .2075 -.115 1.8 .00104 .00169 .0184 -.00031 -.00162 -.00078 |
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O34 .5042 .2125 .302 2.2 .00146 .00213 .0219 -.00084 -.0031 .0020 |
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Wat1 .5170 .3251 .042 2.6 .00235 .00182 .0294 -.00041 -.0012 .0009 |
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Wat2 .9222 .4867 .127 2.7 .00283 .00154 .0353 -.00063 .0008 -.0003 |
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Wat3 .9171 .0242 .382 3.0 .00318 .00194 .0313 -.00020 -.0004 -.0005 |
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Wat4 .6806 .0771 .087 2.8 .00208 .00201 .0359 -.00011 -.0002 -.0013 |
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Wat5 .9216 .1408 .055 2.9 .00297 .00180 .0348 .00034 .0008 .0005 |
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