Romanechite
Turner S, Post J E
American Mineralogist 73 (1988) 1155-1161
Refinement of the substructure and superstructure of romanechite
_database_code_amcsd 0001198
13.929 2.8459 9.678 90 92.39 90 C2/m
atom      x  y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1       0 .5     0      .0181  .0024  .0097      0  .0042      0
Mn2  .99978  0 .2682      .0140  .0035  .0093      0  .0010      0
Mn3   .3401  0 .4841      .0139  .0037  .0102      0  .0018      0
O1    .5669  0 .1773      .0187  .0035  .0134      0  .0037      0
O2    .0976  0 .4244      .0188  .0041  .0144      0 -.0012      0
O3    .7663  0 .3958      .0168  .0054  .0114      0  .0012      0
O4    .4248  0 .3354      .0158  .0043  .0136      0  .0044      0
O5    .9263  0 .0721      .0222  .0047  .0303      0  .0108      0
Ba    .2466  0 .1242 .33  .0131  .0119  .0127      0  .0009      0
OH     .250  0  .131 .59