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 = 1363 K and P = 2.8 GPa, inversion parameter x = .571
_database_code_amcsd 0003574
8.1350 8.1350 8.1350 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z   occ  Uiso
MgT     .125   .125   .125  .429 .0244
AlT     .125   .125   .125  .571 .0244
AlOct     .5     .5     .5 .7145 .0316
MgOct     .5     .5     .5 .2855 .0316
O     .26211 .26211 .26211       .0124