Hohmannite
Scordari F
Mineralogical Magazine 42 (1978) 144-146
The crystal structure of hohmannite, Fe2(H2O)4[(SO4)2O]*4H2O
and its relationship to amaranite, Fe2(H2O)4[(SO4)2O]*3H2O
Locality: synthetic
_database_code_amcsd 0014470
9.148 10.922 7.183 90.29 90.79 107.36 P-1
atom       x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1    .4022 .4571 .3384   .9  .0048  .0022  .0028  .0003  .0005 -.0007
Fe2    .6693 .7607 .3044  1.0  .0055  .0023  .0029  .0000  .0009 -.0004
S1     .1399 .1742 .3089  1.0  .0056  .0027  .0040  .0001  .0004 -.0009
S2     .5915 .3543 .0194   .9  .0052  .0025  .0030  .0009  .0009 -.0005
O1     .1645 .1685 .5126  1.8  .0073  .0055  .0037 -.0009 -.0001  .0000
O2    -.0193 .1574 .2700  1.5  .0063  .0052  .0109  .0004 -.0001 -.0014
O3     .2334 .3017 .2431  1.5  .0080  .0036  .0042 -.0001  .0011 -.0002
O4     .1929 .0750 .2173  1.8  .0130  .0033  .0084  .0024  .0029 -.0017
O5     .3531 .5279 .0900  1.6  .0079  .0042  .0055 -.0008 -.0008  .0009
O6     .5523 .7270 .0634  1.6  .0085  .0037  .0044 -.0008  .0000 -.0002
O7     .7045 .2876 .0300  1.9  .0116  .0067  .0065  .0056  .0011 -.0007
O8     .5600 .3901 .2093  1.5  .0077  .0055  .0026  .0027  .0011 -.0016
O9     .5568 .6123 .4259   .9  .0052  .0023  .0028  .0000  .0004 -.0006
Wat10  .7442 .2428 .4473  2.5  .0138  .0074  .0230  .0032  .0064 -.0008
Wat11  .7797 .9303 .1632  2.0  .0116  .0042  .0033 -.0011  .0013  .0001
Wat12  .5379 .8648 .4061  1.6  .0104  .0042  .0101  .0032  .0035  .0001
Wat13  .4877 .0406 .1892  2.5  .0153  .0080  .0144  .0061  .0034  .0025
Wat14  .2234 .5126 .4426  1.4  .0057  .0058  .0121  .0024  .0014 -.0024
Wat15  .1128 .8051 .2167  1.9  .0097  .0064  .0193  .0026  .0036 -.0021
Wat16  .8182 .6790 .1751  1.7  .0085  .0059  .0099  .0023  .0016 -.0028
Wat17  .9839 .4732 .2052  3.3  .0123  .0135  .0321  .0030 -.0044  -.001