DATOLITE [2], structure type - datolite

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.9918
0.1062
0.3361
0.3300
Ca
2
0.4688
0.2626
0.0840
0.2200
Si
3
0.5683
0.4107
0.3415
0.3200
B
4
0.2401
0.4008
0.0376
0.5900
O
5
0.6694
0.3010
0.4575
0.4900
O
6
0.6755
0.3346
0.2104
0.4600
O
7
0.3152
0.0876
0.1460
0.5200
O
8
0.2588
0.4137
0.3363
0.5300
OH
9
0.2000
0.4440
0.4050
0.7800
H