BONATTITE [2], syn

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.4127
0.6351
0.3507
0.0000
Cu
2
0.6750
0.6130
0.7672
0.0000
S
3
0.5735
0.6650
0.5947
0.0000
O
4
0.8911
0.5544
0.7319
0.0000
O
5
0.4938
0.5439
0.8329
0.0000
O
6
0.7380
0.6958
0.9010
0.0000
O
7
0.6995
0.6943
0.2605
0.0000
O
8
0.7124
0.6930
0.1267
0.0000
H
9
0.8503
0.6788
0.3432
0.0000
H
10
0.2463
0.6286
0.0989
0.0000
O
11
0.3360
0.6030
0.0016
0.0000
H
12
0.1556
0.6920
0.0589
0.0000
H
13
0.1063
0.5905
0.4330
0.0000
O
14
0.0397
0.5273
0.3680
0.0000
H
15
0.0723
0.5877
0.5569
0.0000
H