BARITE [12], structure type -
barite
Atomic Positions
N/N
x/a
y/b
z/c
B(j)
Occupancy
1
0.1584
0.1845
0.2500
0.8300
Ba
2
0.1908
0.4375
0.7500
0.7100
S
3
0.1072
0.5870
0.7500
1.7900
O
4
0.0498
0.3176
0.7500
1.3900
O
5
0.3118
0.4194
0.9704
1.0500
O