Schneiderhohnite
Hawthorne F C
The Canadian Mineralogist 23 (1985) 675-679
Schneiderhohnite, (Fe2+)(Fe3+)3As5O13, a densely packed arsenite
structure
_database_code_amcsd 0005209
8.924 10.016 9.103 59.91 112.41 81.69 P-1
atom     x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .8020 .3006  .9938  .0034  .0048  .0045 -.0012  .0025 -.0017
As2  .6696 .1689  .4947  .0019  .0053  .0044 -.0012  .0019 -.0019
As3  .8843 .9023  .1653  .0011  .0051  .0055 -.0005  .0017 -.0031
As4  .7322 .7385  .8569  .0009  .0050  .0053 -.0011  .0020 -.0019
As5  .7555 .5380  .5125  .0050  .0053  .0061 -.0022  .0024 -.0026
Fe1      0     0     .5  .0008  .0036  .0054  .0002  .0011 -.0018
Fe2     .5    .5      0  .0007  .0042  .0047 -.0004  .0006 -.0016
Fe3  .8861 .3823  .3186  .0001  .0029  .0036  .0004  .0000 -.0010
Fe4  .4546 .1967 -.0798  .0026  .0053  .0050 -.0014  .0015 -.0027
Fe5  .6363 .8945  .3863  .0049  .0058  .0067  .0055  .0034 -.0039
O1   .7959 .5808  .3174  .0068  .0077  .0060 -.0018  .0035 -.0042
O2   .4326 .2002  .3831  .0001  .0083  .0041  .0000  .0000  .0000
O3   .3994 .1247  .1315  .0071  .0063  .0086  .0009  .0049 -.0036
O4   .8763 .1068  .0244  .0081  .0043  .0060  .0001  .0040 -.0013
O5   .7526 .0298  .4512  .0040  .0073  .0141 -.0038  .0062 -.0073
O6   .9205 .2214  .2470  .0045  .0057  .0050 -.0017  .0022 -.0028
O7   .5559 .7309  .3323  .0034  .0081  .0078 -.0033  .0034 -.0040
O8   .0046 .8515  .4090  .0044  .0056  .0037 -.0004 -.0020 -.0016
O9   .7131 .5508  .0133  .0024  .0064  .0075 -.0020  .0026 -.0031
O10  .1213 .3717  .3916  .0026  .0112  .0107 -.0033  .0025 -.0070
O11  .6498 .3551  .2939  .0041  .0042  .0067 -.0012  .0016 -.0006
O12  .6656 .9617  .1256  .0013  .0066  .0068 -.0017  .0020 -.0038
O13  .4059 .6856  .0210  .0004  .0037  .0057  .0000  .0000  .0000