GYPSUM [5], structure type - gypsum, at 0.0001 Gpa

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.0000
0.1705
0.2500
0.0000
Ca
2
0.0000
0.3273
0.7500
0.0000
S
3
0.0832
0.2722
0.5910
0.0000
O
4
0.2000
0.3820
0.9130
0.0000
O
5
-0.2082
0.0683
-0.0783
0.0000
H2O
6
-0.2580
0.0870
-0.2340
0.0000
H
7
-0.2440
0.0200
-0.0770
0.0000
H