American Mineralogist Crystal Structure Database

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Scorodite
Download hom/scorodite.pdf
Hawthorne F C
Acta Crystallographica B32 (1976) 2891-2892
The hydrogen positions in scorodite
Locality: not given
_database_code_amcsd 0018660
8.937 10.278 9.996 90 90 90 Pcab
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe   .1468 .1269 .1823 1.59  .0052  .0035  .0041  .0001  .0002  .0001
As   .4646 .1516 .3636 1.42  .0045  .0032  .0037  .0000  .0001  .0001
O1   .4955 .3012 .3044 1.83  .0064  .0034  .0050 -.0003  .0002  .0006
O2   .5831 .0508 .2830 1.83  .0066  .0038  .0045 -.0002  .0016  .0000
O3   .2859 .1102 .3329 2.02  .0045  .0062  .0051 -.0011 -.0008  .0003
O4   .4951 .1426 .5293 1.84  .0054  .0052  .0041  .0003 -.0002  .0002
OW1  .3282 .5543 .4305 2.35  .0081  .0060  .0048  .0005 -.0002  .0010
OW2  .2277 .8006 .3836 1.98  .0053  .0044  .0060  .0000 -.0008 -.0001
H1    .377  .476  .397  1.5
H2    .301  .534  .501  1.5
H3    .157  .854  .297  1.5
H4    .310  .810  .418  1.5
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