GILLESPITE [9], structure type -
gillespite
, at 1 bar
Atomic Positions
N/N
x/a
y/b
z/c
B(j)
Occupancy
1
0.2500
0.7500
0.0000
0.0000
Ba
2
0.2500
0.2500
0.0919
0.0000
Fe
3
0.5196
0.9354
0.1549
0.0000
Si
4
0.4740
0.9740
0.2500
0.0000
O
5
0.7228
0.9966
0.1375
0.0000
O
6
0.3905
0.0265
0.0902
0.0000
O