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: CuAl15a2
Locality: synthetic
_database_code_amcsd 0019564
8.0858 8.0858 8.0858 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  .03  .0043  .0043  .0043       0       0       0
MgT    .125   .125   .125  .73  .0043  .0043  .0043       0       0       0
AlT    .125   .125   .125  .24  .0043  .0043  .0043       0       0       0
CuM      .5     .5     .5 .015  .0045  .0045  .0045 -.00011 -.00011 -.00011
MgM      .5     .5     .5 .105  .0045  .0045  .0045 -.00011 -.00011 -.00011
AlM      .5     .5     .5  .88  .0045  .0045  .0045 -.00011 -.00011 -.00011
O    .26208 .26208 .26208       .0078  .0078  .0078  .00010  .00010  .00010