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 = 273 K and P = 0 GPa, inversion parameter x = .320
_database_code_amcsd 0003569
8.0834 8.0834 8.0834 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
MgT     .125   .125   .125 .680 .0050
AlT     .125   .125   .125 .320 .0050
AlOct     .5     .5     .5 .840 .0092
MgOct     .5     .5     .5 .160 .0092
O     .26211 .26211 .26211      .0045