Wiserite
Pertlik F, Dunn P J
American Mineralogist 74 (1989) 1351-1354
Crystal structure of wiserite
_database_code_amcsd 0001283
20.192 20.192 3.281 90 90 90 *P4/n
-.25 .25 0
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1       0      0      0           0.0177 0.0188 0.0255 -.0004 -.0002 -.0012
Mn2  .26828 .03228 .95605           0.0098 0.0109 0.0125 -.0005 -.0001 -.0003
Mn3  .11177 .08627 .46820           0.0097 0.0117 0.0124  .0001 -.0002 -.0004
Mn4  .24573 .88625 .43468           0.0187 0.0137 0.0170 -.0001 -.0045  .0020
B1    .9589  .1203  .4130           0.0106 0.0091 0.0087  .0011 -.0020  .0001
B2    .8637  .0487  .1100           0.0063 0.0111 0.0105  .0009 -.0009 -.0016
OH1   .1085  .1555  .9665           0.0129 0.0092 0.0169  .0021  .0005 -.0012
OH2   .2174  .0811  .4596           0.0099 0.0123 0.0143  .0006 -.0008 -.0010
O1    .8952  .1051  .2650           0.0104 0.0086 0.0258  .0013 -.0041 -.0063
O2    .3146  .9717  .4601           0.0074 0.0134 0.0142  .0016  .0015 -.0020
O3    .0032  .0707  .4817           0.0076 0.0089 0.0150  .0007 -.0018  .0000
O4    .2038  .9437  .9416           0.0073 0.0138 0.0157  .0002  .0003  .0004
O5    .1034  .0078  .9724           0.0092 0.0098 0.0161  .0010 -.0013 -.0010
O6    .2980  .8168  .7822           0.0335 0.1147 0.0604  .0417  .0248  .0640
Mg1     .75    .25      0  .5       0.0086 0.0086 0.0331      0      0      0
Si1     .75    .25      0  .5       0.0086 0.0086 0.0331      0      0      0
Cl1     .75    .75  .7714  .2 .0423
Cl2     .75    .75  .2709  .2 .0463
Cl3     .75    .75  .5230  .2 .0367
Cl4     .75    .75  .0206  .2 .0592