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 = 887 K and P = 1.7 GPa, inversion parameter x = .509
_database_code_amcsd 0003577
8.1050 8.1050 8.1050 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z   occ  Uiso
MgT     .125   .125   .125  .491 .0128
AlT     .125   .125   .125  .509 .0128
AlOct     .5     .5     .5 .7455 .0213
MgOct     .5     .5     .5 .2545 .0213
O     .26181 .26181 .26181       .0086