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: MgMn10
_database_code_amcsd 0004262
8.1321 8.1321 8.1321 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  .749  .0055  .0055  .0055      0      0      0
AlT     .125   .125   .125  .134  .0055  .0055  .0055      0      0      0
Mn2+T   .125   .125   .125  .027  .0055  .0055  .0055      0      0      0
Mn3+T   .125   .125   .125  .089  .0055  .0055  .0055      0      0      0
AlM       .5     .5     .5  .837  .0053  .0053  .0053      0      0      0
MgM       .5     .5     .5  .069  .0053  .0053  .0053      0      0      0
Mn2+M     .5     .5     .5 .0425  .0053  .0053  .0053      0      0      0
Mn3+M     .5     .5     .5 .0515  .0053  .0053  .0053      0      0      0
O     .26232 .26232 .26232        .0108  .0108  .0108      0      0      0