PERROUDITE [1], DN

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.0000
0.0000
0.3999
0.0000
Hg=0.5000
2
0.1589
0.1743
0.3776
0.0000
Hg
3
0.0931
0.4230
0.9988
0.0000
Hg=0.8000, Ag=0.2000
4
0.3112
0.3967
0.1328
0.0000
Ag
5
0.4213
0.1853
0.4229
0.0000
Ag
6
0.0000
0.5000
0.6441
0.0000
(S)=0.5000
7
0.1304
0.9827
0.3229
0.0000
(S)=0.9000, (Cl)=0.1000
8
0.1787
0.3658
0.3793
0.0000
(S)=0.9000, (Cl)=0.1000
9
0.0180
0.1897
0.8599
0.0000
(Cl)=0.8000, (Br)=0.2000
10
0.3135
0.1694
0.8781
0.0000
(Br)=0.2000, (I)=0.8000