SCHMIEDERITE [1]

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.3120
0.2500
0.4110
0.0000
Pb
2
0.3280
0.2500
0.9668
0.0000
Pb
3
0.9900
0.9930
0.2438
0.0000
Cu
4
0.3500
0.7500
0.2093
0.0000
Se
5
0.3347
0.7500
0.6890
0.0000
Se
6
0.3650
0.7500
0.0340
0.0000
O
7
0.2460
0.5140
0.2100
0.0000
O
8
0.5000
0.7500
0.7550
0.0000
O
9
0.3160
0.7500
0.5060
0.0000
O
10
0.2640
0.9890
0.7320
0.0000
O
11
0.0340
0.7500
0.3880
0.0000
OH
12
0.0770
0.2500
0.3780
0.0000
OH
13
0.0520
0.7500
0.8990
0.0000
OH
14
0.0890
0.2500
0.8930
0.0000
OH