GYPSUM [7], structure type -
gypsum
, at 3.94 Gpa
Atomic Positions
N/N
x/a
y/b
z/c
B(j)
Occupancy
1
0.0000
0.1672
0.2500
0.0000
Ca
2
0.0000
0.3255
0.7500
0.0000
S
3
0.0840
0.2720
0.5890
0.0000
O
4
0.2080
0.3840
0.9250
0.0000
O
5
-0.2260
0.0630
-0.0780
0.0000
H
2
O