ARMALCOLITE [6], structure type -
pseudobrookite
, at 1.0 GPa
Atomic Positions
N/N
x/a
y/b
z/c
B(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