(Cu.69Mg.31)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: CuAl90dw
Locality: synthetic
_database_code_amcsd 0019569
8.0857 8.0857 8.0857 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 .43  .0079  .0079  .0079       0       0       0
MgT    .125   .125   .125 .31  .0079  .0079  .0079       0       0       0
AlT    .125   .125   .125 .26  .0079  .0079  .0079       0       0       0
CuM      .5     .5     .5 .13  .0060  .0060  .0060 -.00027 -.00027 -.00027
AlM      .5     .5     .5 .87  .0060  .0060  .0060 -.00027 -.00027 -.00027
O    .26191 .26191 .26191      .0114  .0114  .0114   .0000   .0000   .0000