CuAl2O4
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: CuAl100h
Locality: synthetic
_database_code_amcsd 0019572
8.0793 8.0793 8.0793 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  .71  .0094  .0094  .0094       0       0       0
AlT    .125   .125   .125  .29  .0094  .0094  .0094       0       0       0
CuM      .5     .5     .5 .145  .0069  .0069  .0069 -.00031 -.00031 -.00031
AlM      .5     .5     .5 .855  .0069  .0069  .0069 -.00031 -.00031 -.00031
O    .26167 .26167 .26167       .0131  .0131  .0131   .0001   .0001   .0001