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Scorodite |
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Kitahama K, Kiriyama R, Yoshihisa B |
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Acta Crystallographica B31 (1975) 322-324 |
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Refinement of the crystal structure of scorodite |
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_database_code_amcsd 0009529 |
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10.325 8.953 10.038 90 90 90 Pbca |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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As .34799 .03556 -.13618 .001008 .001310 .001042 -.000054 -.000024 -.000083 |
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Fe .37359 .14651 .18278 .000844 .001497 .001017 .000027 -.000048 .000000 |
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O1 .19917 .00327 -.19453 .001431 .002620 .002084 .000081 -.000482 -.001864 |
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O2 .35791 .00678 .02939 .002509 .001809 .001116 -.000135 -.000072 .000056 |
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O3 .39294 .21230 -.16644 .002603 .001653 .002605 -.000947 .000410 .000723 |
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O4 .44796 -.08264 -.21656 .002064 .002464 .001762 .000568 -.000072 -.000779 |
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Wat1 .19851 .23012 .11835 .001735 .003025 .003523 .000838 -.000603 .000389 |
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Wat2 .44653 .32843 .06932 .002931 .003680 .001861 -.001001 -.000338 .000334 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Scorodite |
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Hawthorne F C |
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Acta Crystallographica B32 (1976) 2891-2892 |
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The hydrogen positions in scorodite |
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Locality: not given |
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_database_code_amcsd 0018660 |
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8.937 10.278 9.996 90 90 90 Pcab |
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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 .1468 .1269 .1823 1.59 .0052 .0035 .0041 .0001 .0002 .0001 |
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As .4646 .1516 .3636 1.42 .0045 .0032 .0037 .0000 .0001 .0001 |
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O1 .4955 .3012 .3044 1.83 .0064 .0034 .0050 -.0003 .0002 .0006 |
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O2 .5831 .0508 .2830 1.83 .0066 .0038 .0045 -.0002 .0016 .0000 |
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O3 .2859 .1102 .3329 2.02 .0045 .0062 .0051 -.0011 -.0008 .0003 |
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O4 .4951 .1426 .5293 1.84 .0054 .0052 .0041 .0003 -.0002 .0002 |
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OW1 .3282 .5543 .4305 2.35 .0081 .0060 .0048 .0005 -.0002 .0010 |
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OW2 .2277 .8006 .3836 1.98 .0053 .0044 .0060 .0000 -.0008 -.0001 |
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H1 .377 .476 .397 1.5 |
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H2 .301 .534 .501 1.5 |
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H3 .157 .854 .297 1.5 |
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H4 .310 .810 .418 1.5 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Scorodite |
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Xu Y, Zhou G P, Zheng X F |
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Acta Crystallographica E63 (2007) i67-i69 |
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Redetermination of iron(III) arsenate dihydrate |
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Locality: synthetic |
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_database_code_amcsd 0010474 |
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8.942 10.075 10.339 90 90 90 Pbca |
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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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As .03548 .13613 .15181 .00784 .0082 .0061 .0092 .00017 .00019 -.00045 |
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Fe .14664 -.18243 .12664 .00875 .0091 .0076 .0096 .0001 .0001 -.0002 |
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O1 .0069 -.0295 .1428 .0109 .0099 .0058 .0170 .0002 .0017 .0000 |
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O2 .2139 .1654 .1093 .0129 .0101 .0096 .0190 -.0021 .0031 -.0022 |
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O3 .0037 .1951 .3012 .0123 .0167 .0106 .0098 .0016 -.0001 -.0027 |
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O4 -.0834 .2159 .0511 .0139 .0165 .0129 .0121 .0055 -.0048 -.0022 |
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O1W .2293 -.1175 .3004 .0143 .0121 .0177 .0132 -.0034 -.0014 .0012 |
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H1A .189 -.153 .365 .021 |
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H1B .321 -.108 .319 .021 |
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O2W .3285 -.0701 .0547 .0181 .0215 .0083 .0246 -.0004 .0069 .0002 |
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H2A .359 -.093 -.018 .027 |
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H2B .315 .0120 .063 .027 |
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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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