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: CuAl70bm
Locality: synthetic
_database_code_amcsd 0019568
8.0846 8.0846 8.0846 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 .26  .0069  .0069  .0069       0       0       0
MgT    .125   .125   .125 .50  .0069  .0069  .0069       0       0       0
AlT    .125   .125   .125 .24  .0069  .0069  .0069       0       0       0
CuM      .5     .5     .5 .09  .0055  .0055  .0055 -.00023 -.00023 -.00023
MgM      .5     .5     .5 .03  .0055  .0055  .0055 -.00023 -.00023 -.00023
AlM      .5     .5     .5 .88  .0055  .0055  .0055 -.00023 -.00023 -.00023
O    .26200 .26200 .26200      .0102  .0102  .0102   .0001   .0001   .0001