FERROBUSTAMITE [1]

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.2006
0.4175
0.3775
0.4200
Ca=0.9720, Fe=0.0280
2
0.1988
0.9329
0.3757
0.5400
Ca=0.9830, Fe=0.0170
3
0.5000
0.2500
0.2500
0.5100
Ca=0.0350, Fe=0.9650
4
0.5000
0.7500
0.2500
0.5400
Ca=0.9860, Fe=0.0140
5
0.1888
0.3960
0.6365
0.3600
Si
6
0.1925
0.9570
0.6315
0.6300
Si
7
0.3971
0.7263
0.5231
0.3500
Si
8
0.4292
0.2346
0.4026
0.7200
O
9
0.4008
0.7237
0.4085
0.5800
O
10
0.3177
0.4808
0.7315
0.6900
O
11
0.3103
0.9280
0.7292
0.9000
O
12
0.0150
0.6213
0.3556
0.8700
O
13
0.0129
0.1339
0.3738
1.0400
O
14
0.2637
0.5183
0.5434
0.7700
O
15
0.2787
0.8838
0.5400
0.8200
O
16
0.2238
0.1860
0.6188
1.1100
O