BICCHULITE [2], Ga-analogue

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.2500
0.5000
0.0000
0.0000
Ga=0.6700, Si=0.3300
2
0.1399
0.1399
0.4131
0.0000
O
3
0.1418
0.1418
0.1418
0.0000
Ca
4
0.3837
0.3837
0.3837
0.0000
O
5
0.3120
0.3120
0.3590
0.0000
H=0.3300