Mohrite
Figgis B N, Kucharski E S, Reynolds P A, Tasset F
Acta Crystallographica C45 (1989) 942-944
The structure of (ND4)2Fe(SO4)2*6D2O at 4.3 K by neutron diffraction
Locality: synthetic
_database_code_amcsd 0010076
9.167 12.405 6.305 90 106.71 90 P2_1/a
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
N     .1362  .3403  .3518 .0053  .0061  .0042  .0056 -.0002  .0019 -.0007
H11   .0704  .3299  .1922 .0188  .0225  .0236  .0104 -.0041  .0010 -.0028
H12   .2295  .2916  .3883 .0189  .0154  .0142  .0270  .0081  .0070  .0037
H13   .0698  .3221  .4534 .0176  .0177  .0195  .0156 -.0005  .0090  .0008
H14   .1700  .4199  .3729 .0175  .0209  .0106  .0210 -.0009  .0032 -.0019
Fe        0      0      0 .0024  .0028  .0022  .0023  .0005  .0001 -.0005
S     .4126  .1300  .7349 .0017  .0019  .0007  .0024  .0009  .0007  .0011
O3    .4209  .2217  .5868 .0048  .0067  .0029  .0049  .0006  .0016  .0006
O4    .5526  .0662  .7807 .0054  .0040  .0047  .0076  .0012  .0007 -.0010
O5    .2802  .0622  .6190 .0043  .0042  .0039  .0049 -.0003  .0002 -.0008
O6    .3898  .1726  .9430 .0049  .0071  .0041  .0035  .0002  .0015 -.0020
O5    .1799  .1075  .1704 .0058  .0059  .0071  .0045 -.0006  .0014 -.0007
O6   -.1643  .1171  .0298 .0054  .0057  .0035  .0071  .0003  .0010  .0005
O7   -.0006 -.0707  .3023 .0058  .0071  .0049  .0055  .0012  .0028  .0017
H15   .2268  .0878  .3245 .0153  .0167  .0190  .0101  .0000  .0001  .0016
H16   .2606  .1174  .1005 .0178  .0153  .0225  .0155 -.0026  .0068 -.0009
H17  -.2684  .1001 -.0589 .0147  .0097  .0161  .0182  .0008  .0010 -.0013
H18  -.1449  .1912 -.0063 .0152  .0167  .0100  .0190 -.0018  .0045  .0025
H19  -.0956 -.0610  .3411 .0179  .0161  .0185  .0190  .0043  .0096  .0026
H20   .0250 -.1473  .3285 .0154  .0188  .0107  .0168  .0024  .0057  .0030