Spinel
Fregola R A, Bosi F, Skogby H, Halenius U
American Mineralogist 97 (2012) 1821-1827
Cation ordering over short-range and long-range scales
in the MgAl2O4-CuAl2O4 series
Sample: CuAl70aw
Locality: synthetic
_database_code_amcsd 0019567
8.0852 8.0852 8.0852 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)
CuT    .125   .125   .125  .24  .0067  .0067  .0067       0       0       0
MgT    .125   .125   .125  .52  .0067  .0067  .0067       0       0       0
AlT    .125   .125   .125  .24  .0067  .0067  .0067       0       0       0
CuM      .5     .5     .5 .085 .00523 .00523 .00523 -.00024 -.00024 -.00024
MgM      .5     .5     .5 .035 .00523 .00523 .00523 -.00024 -.00024 -.00024
AlM      .5     .5     .5 .875 .00523 .00523 .00523 -.00024 -.00024 -.00024
O    .26198 .26198 .26198       .0096  .0096  .0096   .0001   .0001   .0001