(Cu.78Mg.22)Al2O4
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: CuAl95b
Locality: synthetic
_database_code_amcsd 0019571
8.0841 8.0841 8.0841 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  .51  .0081  .0081  .0081       0       0       0
MgT    .125   .125   .125  .22  .0081  .0081  .0081       0       0       0
AlT    .125   .125   .125  .27  .0081  .0081  .0081       0       0       0
CuM      .5     .5     .5 .135  .0061  .0061  .0061 -.00029 -.00029 -.00029
AlM      .5     .5     .5 .865  .0061  .0061  .0061 -.00029 -.00029 -.00029
O    .26183 .26183 .26183       .0118  .0118  .0118  -.0001  -.0001  -.0001