ARMALCOLITE [9], structure type -
pseudobrookite
, at 0.0001 GPa
Atomic Positions
N/N
x/a
y/b
z/c
B(j)
Occupancy
1
0.8055
0.2500
0.0000
0.5000
Mg=0.5150, Ti=0.4850
2
0.1357
0.4369
0.0000
0.5500
Ti=0.7575, Mg=0.2425
3
0.2341
0.2500
0.0000
1.1600
O
4
0.0467
0.8841
0.0000
0.8300
O
5
0.3110
0.9304
0.0000
0.6700
O