Spinel
Bosi F, Halenius U, Andreozzi G B, Skogby H, Lucchesi S
American Mineralogist 92 (2007) 27-33
Structural refinement and crystal chemistry of Mn-doped spinel: A case for
tetrahedrally coordinated Mn3+ in an oxygen-based structure
Sample: MgMn20
_database_code_amcsd 0004263
8.1413 8.1413 8.1413 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z   occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgT     .125   .125   .125  .758  .0059  .0059  .0059      0      0      0
AlT     .125   .125   .125  .104  .0059  .0059  .0059      0      0      0
Mn2+T   .125   .125   .125  .013  .0059  .0059  .0059      0      0      0
Mn3+T   .125   .125   .125  .126  .0059  .0059  .0059      0      0      0
AlM       .5     .5     .5  .823  .0053  .0053  .0053      0      0      0
MgM       .5     .5     .5 .0705  .0053  .0053  .0053      0      0      0
Mn2+M     .5     .5     .5  .044  .0053  .0053  .0053      0      0      0
Mn3+M     .5     .5     .5  .062  .0053  .0053  .0053      0      0      0
O     .26231 .26231 .26231        .0107  .0107  .0107      0      0      0