FAVREAUITE [1], at 100'K, DN

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.7500
0.2500
0.0000
0.0000
Pb=0.9500, Ca=0.1700
2
0.7500
0.7500
0.5170
0.0000
Bi=0.9000
3
0.5000
0.5000
0.5000
0.0000
Cu=0.9683
4
0.7394
0.5165
0.2794
0.0000
Cu=0.9683
5
0.5662
0.5394
0.8277
0.0000
Se
6
0.6097
0.6215
0.3859
0.0000
O
7
0.3974
0.5656
0.8447
0.0000
O
8
0.6010
0.5667
0.6605
0.0000
O
9
0.5787
0.3661
0.8419
0.0000
O
10
0.2500
0.2500
0.8979
0.0000
H2O
11
0.6781
0.3367
0.4365
0.0000
OH=0.2000
12
0.7500
0.2500
0.5000
0.0000
OH=0.2000