ARMALCOLITE [2], structure type - pseudobrookite, syn, at 24'C, after annealing

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.8061
0.2500
0.0000
0.6500
Fe=0.4560, Mg=0.4560, Ti=0.0880
2
0.1337
0.4332
0.0000
0.5100
Fe=0.0220, Mg=0.0220, Ti=0.9560
3
0.2141
0.2500
0.0000
0.7500
O
4
0.0455
0.8866
0.0000
0.7500
O
5
0.3141
0.9397
0.0000
0.6300
O