CLARINGBULLITE [1], DF

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.5000
0.0000
0.0000
1.4500
Cu=0.6700
2
0.3711
0.7422
0.7500
0.8400
Cu=0.6700
3
0.6667
0.3333
0.7500
2.3900
(Cl)
4
0.0000
0.0000
0.7500
4.3600
(Cl)=0.2900, OH=0.7100
5
0.2017
0.7983
0.9082
1.0500
O
6
0.1250
0.8750
0.8680
2.0000
H