POITEVINITE [3], "distorted" structure type - kieserite, syn

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.0000
0.0000
0.0000
1.1000
Fe=0.5200, Cu=0.4800
2
0.5000
0.5000
0.5000
1.1000
Fe=0.5200, Cu=0.4800
3
0.5930
0.9180
0.2480
0.7000
S
4
0.7270
0.8300
0.0980
1.1000
O
5
0.2870
0.8280
0.1540
1.3000
O
6
0.6440
0.2220
0.3310
0.9000
O
7
0.6940
0.7970
0.4040
1.6000
O
8
0.1140
0.4070
0.2650
1.0000
H2O