PHARMACOLITE [1], "distorted" structure type - gypsum

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.2605
0.8262
0.0093
0.0000
Ca
2
0.2532
0.3243
-0.0140
0.0000
As
3
0.2391
0.3746
0.2260
0.0000
O
4
0.5340
0.2786
0.0991
0.0000
O
5
0.1941
0.3978
-0.2238
0.0000
O
6
0.0273
0.2503
-0.1177
0.0000
O
7
0.1414
0.9257
0.2435
0.0000
H2O
8
0.2671
0.9456
0.7685
0.0000
H2O