DEMESMAEKERITE [1]

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.7474
0.9163
0.7608
0.6400
U
2
0.1946
0.6890
0.3282
1.1300
Pb
3
0.5121
0.1688
0.7260
1.1000
Se
4
0.2214
0.3749
0.5940
0.9000
Se
5
0.9539
0.1108
0.2123
0.7000
Se
6
0.5000
0.5000
0.5000
0.9000
Cu
7
0.3850
0.5767
0.9350
1.1000
Cu
8
0.9537
0.4432
0.2080
0.9000
Cu
9
0.3019
0.1365
0.9843
2.2000
O
10
0.1974
0.0302
0.4933
1.9000
O
11
0.8381
0.1161
0.9822
1.0000
O
12
0.6312
0.0986
0.6560
1.6000
O
13
0.5738
0.8285
0.5454
1.8000
O
14
0.7771
0.6924
0.6789
1.3000
O
15
0.9372
0.8646
0.9488
1.0000
O
16
0.4439
0.6702
0.2607
1.7000
O
17
0.3326
0.4828
0.6133
1.5000
O
18
0.1134
0.4851
0.5178
0.9000
O
19
0.0565
0.7391
0.6598
1.0000
O
20
0.5251
0.5931
0.8038
1.0000
OH
21
0.7619
0.4583
0.9689
1.1000
OH
22
0.0063
0.6171
0.0965
1.0000
OH
23
0.3403
0.7971
0.7985
2.5000
H2O