HAUYNE [2], structure type - sodalite, at 293'K, DF

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.1443
0.1559
0.4681
2.3000
O
2
0.6636
0.6636
0.6636
1.9000
K=0.2000
3
0.7008
0.7008
0.7008
3.2000
Ca=0.3000
4
0.7374
0.7374
0.7374
1.7000
Na=0.5400
5
0.5972
0.5972
0.5972
16.3000
O=0.7500
6
0.2500
0.5000
0.0000
0.9000
Si
7
0.2500
0.0000
0.5000
0.9000
Al
8
0.4657
0.4657
0.4657
5.0000
S=0.1900