DIGENITE [1], "distorted" structure type -
fluorite
,
DF
Atomic Positions
N/N
x/a
y/b
z/c
B(j)
Occupancy
1
0.0000
0.0000
0.0000
0.0000
(S)
2
0.2500
0.2500
0.2500
0.0000
Cu=0.4500
3
0.3333
0.3333
0.3333
0.0000
Cu=0.1100