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American Mineralogist Crystal Structure Database

1 matching records for this search.

Kaatialaite
Download hom/kaatialaite.pdf 
Boudjada A, Guitel J C
Acta Crystallographica B37 (1981) 1402-1405
Structure cristalline d'un orthoarseniate acide de fer(III) pentahydrate: Fe(H2AsO4)3*5H2O
Locality: synthetic
Note: anisoB's from ICSD
_database_code_amcsd 0009745
15.25 19.600 4.72 90 91.8 90 P2_1/n
atom      x      y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe    .2802 .17815 .6309  1.5 .00135 .00120 .01458  .00004 -.00003  .00014
As1  .19740 .08334 .1240 1.39 .00136 .00102 .01488 -.00005  .00009 -.00014
As2  .22209 .28278 .1129 1.43 .00147 .00106 .01444  .00014 -.00039 -.00022
As3  .42678 .16266 .1394  1.5 .00109 .00130 .01482  .00008  .00008  .00001
O11   .1846  .1397  .378  1.6 .00162 .00136  .0147  .00001       0 -.00023
O12   .2682  .0953 -.128  1.7 .00240 .00123  .0121 -.00053   .0021 -.00100
OH13  .0932  .0738 -.008  2.7 .00170 .00258  .0277  .00003  -.0037   .0005
OH14  .2248  .0073  .269  2.4 .00248 .00135  .0338 -.00001   .0045  .00057
O21   .1966  .2260 -.133  1.6 .00107 .00124  .0225  .00024  -.0002  .00067
OH22  .1238  .3106  .235  2.6 .00213 .00208  .0277  .00051   .0012  -.0022
O23   .2866  .2622  .386  1.6 .00176 .00125  .0137 -.00003  -.0003  .00066
OH24  .2720  .3520 -.020  2.8 .00352 .00181  .0254 -.00008  -.0019   .0014
O31   .3654  .1307  .388  1.4 .00106 .00105  .0171  .00019  .00046  .00004
OH32  .4857  .0974  .013  2.7 .00248 .00200  .0293  .00056   .0015  -.0012
O33   .3797  .2075 -.115  1.8 .00104 .00169  .0184 -.00031 -.00162 -.00078
OH34  .5042  .2125  .302  2.2 .00146 .00213  .0219 -.00084  -.0031   .0020
Wat1  .5170  .3251  .042  2.6 .00235 .00182  .0294 -.00041  -.0012   .0009
Wat2  .9222  .4867  .127  2.7 .00283 .00154  .0353 -.00063   .0008  -.0003
Wat3  .9171  .0242  .382  3.0 .00318 .00194  .0313 -.00020  -.0004  -.0005
Wat4  .6806  .0771  .087  2.8 .00208 .00201  .0359 -.00011  -.0002  -.0013
Wat5  .9216  .1408  .055  2.9 .00297 .00180  .0348  .00034   .0008   .0005


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	Total number of retrieved datasets: 1

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