Gerstmannite
Moore P B, Araki T
American Mineralogist 62 (1977) 51-59
Gerstmannite, a new zinc silicate mineral and a novel cubic close-packed oxide
structure
_database_code_amcsd 0000554
8.185 18.650 6.256 90 90 90 Bbcm
atom     x     y     z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mn   .0072 .3959    .5 .786 .00288 .00062 .00474       0       0       0
Mg   .0072 .3959    .5 .214 .00288 .00062 .00474       0       0       0
Mg     .25    .5   .25      .00439 .00049 .00482  .00001 -.00107  .00009
Zn   .4003   .25   .25      .00396 .00047 .00437       0       0  .00009
Si   .1442 .3458     0      .00274 .00039 .00452 -.00006       0       0
OH1      0    .5 .2822      .00192 .00052 .00620  .00009       0       0
OH2  .2501 .4306    .5      .00424 .00057 .00394 -.00009       0       0
O1   .2484 .4205     0      .00367 .00028 .00592 -.00029       0       0
O2   .2775 .2793     0      .00430 .00063 .00483  .00092       0       0
O3   .0294 .3373 .2112      .00412 .00050 .00711 -.00014  .00213 -.00035