ARMALCOLITE [1], structure type - pseudobrookite, syn, at 24'C, before annealing

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.8074
0.2500
0.0000
0.7500
Fe=0.3320, Mg=0.3320, Ti=0.3350
2
0.1346
0.4353
0.0000
0.7100
Fe=0.0840, Mg=0.0840, Ti=0.8320
3
0.2243
0.2500
0.0000
1.2200
O
4
0.0464
0.8846
0.0000
1.0900
O
5
0.3133
0.9348
0.0000
1.0000
O