Manganpyrosmalite
Kato T, Takeuchi Y
The Canadian Mineralogist 21 (1983) 1-6
The pyrosmalite group of minerals I. Structure refinement of
Manganpyrosmalite
Sample 1: Iron-rich manganpyrosmalite, Kyurazawa mine, Japan
_database_code_amcsd 0005189
13.391 13.391 7.139 90 90 120 P-3m1
atom     x     y     z occ Biso
MnM1     0     0     0 .56 1.17
FeM1     0     0     0 .44 1.17
MnM2 .2549     0     0 .56  .84
FeM2 .2549     0     0 .44  .84
MnM3    .5     0     0 .56  .73
FeM3    .5     0     0 .44  .73
MnM4 .5026 .2513 .0222 .56  .64
FeM4 .5026 .2513 .0222 .44  .64
Si   .4375 .1046 .6245 .97  .54
Fe   .4375 .1046 .6245 .03  .54
O1   .3413     0    .5     1.11
O2   .5640 .1280 .5582      .98
O3   .4316 .2158 .5551      .87
O4   .4199 .0841 .8491      .68
Cl1  .1680 .0840 .7756 .55 2.09
OH1  .1680 .0840 .7756 .45 2.09
OH2  .3366 .1683 .1330      .91
OH3  .5809 .1618 .1450      .89
OH4    1/3   2/3 .1218      .40