ISOCUBANITE [1], at 200`C,
DN
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=0.3020, Fe=0.6040
3
0.7500
0.7500
0.7500
0.0000
Cu=0.0310, Fe=0.0630