KESTERITE [4], "distorted" structure type -
stannite
, model 1, syn
Atomic Positions
N/N
x/a
y/b
z/c
B(j)
Occupancy
1
0.0000
0.0000
0.0000
1.4200
Zn
2
0.5000
0.5000
0.0000
0.6600
Sn
3
0.0000
0.5000
0.2500
1.5500
Cu
4
0.5000
0.0000
0.2500
0.9900
Cu
5
0.7560
0.7566
0.8722
0.8500
(S)