Shigaite
Cooper M A, Hawthorne F C
The Canadian Mineralogist 34 (1996) 91-97
The crystal structure of shigaite, [AlMn2(OH)6]3(SO4)2Na(H2O)6{H2O}6, a
hydrotalcite-group mineral
_database_code_amcsd 0005480
9.512 9.512 33.074 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)
Mn   -.0011 .3336 .16671       .0066  .0062  .0261  .0031  .0003  .0008
Al1       0     0 .16475       .0054  .0054  .0118  .0027      0      0
Al2     1/3   2/3    1/6       .0050  .0050  .0146  .0025      0      0
Na        0     0      0       .0336  .0336  .0324  .0168      0      0
S       2/3   1/3 .03822       .0181  .0181  .0184  .0091      0      0
H1     .584  .156  .1082  .02
H2     .193  .109  .1052  .02
H3     .197  .475  .1087  .02
H4     .172  .507   .035  .07
H5     .004  .394   .054  .07
H6     .172  .262   .055  .07
H7     .320  .242   .045  .07
O1      1/3   2/3  .0063       .0342  .0342  .0118  .0171      0      0
O2    .6144 .1690  .0535       .0373  .0189  .0322  .0138  .0023  .0028
Oh1   .5705 .1373  .1374       .0114  .0072  .0112  .0046  .0009 -.0008
Oh2   .1979 .0984  .1346       .0072  .0101  .0146  .0037  .0021  .0014
Oh3   .2336 .4698  .1361       .0125  .0092  .0125  .0057  .0002 -.0002
OW1   .1180 .4236  .0556       .0280  .0381  .0302  .0165  .0034  .0077
OW2   .2036 .1794  .0501       .0245  .0297  .0384  .0122  .0018 -.0013