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: MgMn01
_database_code_amcsd 0004260
8.0883 8.0883 8.0883 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  .760  .0039  .0039  .0039      0      0      0
AlT     .125   .125   .125  .234  .0039  .0039  .0039      0      0      0
Mn2+T   .125   .125   .125  .003  .0039  .0039  .0039      0      0      0
Mn3+T   .125   .125   .125  .003  .0039  .0039  .0039      0      0      0
AlM       .5     .5     .5  .879  .0041  .0041  .0041      0      0      0
MgM       .5     .5     .5  .117  .0041  .0041  .0041      0      0      0
Mn2+M     .5     .5     .5 .0015  .0041  .0041  .0041      0      0      0
Mn3+M     .5     .5     .5  .003  .0041  .0041  .0041      0      0      0
O     .26213 .26213 .26213        .0072  .0072  .0072      0      0      0