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: CuAl50bw
Locality: synthetic
_database_code_amcsd 0019566
8.0867 8.0867 8.0867 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 .14  .0059  .0059  .0059       0       0       0
MgT    .125   .125   .125 .62  .0059  .0059  .0059       0       0       0
AlT    .125   .125   .125 .24  .0059  .0059  .0059       0       0       0
CuM      .5     .5     .5 .05 .00477 .00477 .00477 -.00019 -.00019 -.00019
MgM      .5     .5     .5 .07 .00477 .00477 .00477 -.00019 -.00019 -.00019
AlM      .5     .5     .5 .88 .00477 .00477 .00477 -.00019 -.00019 -.00019
O    .26204 .26204 .26204      .0087  .0087  .0087  .00016  .00016  .00016