Ungemachite
Groat L A, Hawthorne F C
American Mineralogist 71 (1986) 826-829
Structure of ungemachite, K3Na8Fe(SO4)6(NO3)2.6H2O, a mixed
sulfate-nitrate mineral
Note U(1,2) for N and Na1 have been altered to match symmetry constraints.
_database_code_amcsd 0001035
10.898 10.898 24.989 90 90 120 R-3
atom      x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe        0      0      0       .0092  .0092  .0084  .0046      0      0
S    .34609 .17748 .27813       .0097  .0134  .0130  .0056 -.0018 -.0009
N       1/3    2/3  .0951       .0215  .0215  .0245 .01075      0      0
K        .5      0      0       .0198  .0295  .0263  .0153  .0002 -.0027
Na1       0      0  .1285       .0255  .0255  .0168 .01275      0      0
Na2   .6440  .8170 .09069       .0248  .0216  .0238  .0119 -.0035 -.0016
O1    .5046  .2737 .28304       .0091  .0283  .0163  .0049 -.0034  .0003
O2    .2824  .1394 .33119       .0182  .0266  .0164  .0089  .0054  .0042
O3    .2953  .2600 .24891       .0212  .0212  .0253  .0135 -.0049  .0019
O4    .3212  .0515  .2485       .0301  .0202  .0277  .0152 -.0089 -.0118
O5    .1200 -.1006  .1700       .0241  .0245  .0158  .0071 -.0012  .0023
O6    .4016  .7990  .0951       .0285  .0165  .0552  .0073 -.0008 -.0004
H5A    .774  -.181   .192  .01
H5B    .772  -.066    .19  .01