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 = 1058 K and P = 1.9 GPa, inversion parameter x = .524
_database_code_amcsd 0003576
8.1171 8.1171 8.1171 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
MgT     .125   .125   .125 .476 .0103
AlT     .125   .125   .125 .524 .0103
AlOct     .5     .5     .5 .738 .0311
MgOct     .5     .5     .5 .262 .0311
O     .26159 .26159 .26159      .0101