THOMETZEKITE [1]

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.0000
0.0000
0.0000
2.3800
Pb
2
0.2500
0.2500
0.5000
1.4400
Cu
3
0.9167
0.5000
0.2097
1.4500
As=0.6170, S=0.3830
4
0.3426
0.5000
0.4204
1.9100
O
5
0.3083
0.0000
0.3267
2.3100
O
6
0.0308
0.2887
0.2623
1.8300
O
7
0.2084
0.5000
0.0180
2.8200
O