Spinel
Meducin F, Redfern S A T, Le Godec Y, Stone H J, Tucker M G, Dove M T, Marshall W G
American Mineralogist 89 (2004) 981-986
Study of cation order-disorder in MgAl2O4 spinel by in situ neutron
diffraction up to 1600 K and 3.2 GPa
Sample at T = 1015 K and P = 1.5 GPa, inversion parameter x = .386
_database_code_amcsd 0003572
8.1104 8.1104 8.1104 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
MgT     .125   .125   .125 .614 .0185
AlT     .125   .125   .125 .386 .0185
AlOct     .5     .5     .5 .807 .0330
MgOct     .5     .5     .5 .193 .0330
O     .26204 .26204 .26204      .0070