SMITHITE [1]

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.4985
0.9115
0.1013
1.5000
(S)
2
0.4299
0.4141
0.0863
1.4000
(S)
3
0.1267
0.6736
0.2208
1.3000
(S)
4
0.1427
0.1645
0.2860
1.3000
(S)
5
0.2833
0.4684
0.3875
1.6000
(S)
6
0.2072
0.4450
0.0725
1.3000
(S)
7
0.2530
0.3636
0.2661
1.0200
As
8
0.1728
0.1231
0.4216
1.0400
As
9
0.4079
0.1243
0.4143
1.0600
Ag
10
0.3561
0.1195
0.0908
3.1200
Ag
11
0.4325
0.6201
0.4189
3.8800
Ag
12
0.5000
0.3877
0.2500
3.3800
Ag
13
0.5000
0.8740
0.2500
3.1000
Ag