ARMALCOLITE [6], structure type - pseudobrookite, at 1.0 GPa

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.8050
0.2500
0.0000
0.5100
Mg=0.9300, Ti=0.0700
2
0.1334
0.4332
0.0000
0.3900
Ti=0.9650, Mg=0.0350
3
0.2195
0.2500
0.0000
0.6300
O
4
0.0459
0.8862
0.0000
0.7100
O
5
0.3140
0.9380
0.0000
0.5400
O