OMPHACITE [2], structure type - omphacite

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.5393
0.3465
0.2273
0.3700
Si
2
0.5376
0.1621
0.7310
0.3600
Si
3
0.3624
0.3382
0.1232
0.7300
O
4
0.3621
0.1767
0.6475
0.7400
O
5
0.6138
0.5090
0.3091
0.7600
O
6
0.6063
0.9974
0.8054
0.8000
O
7
0.6057
0.2663
0.0037
0.6500
O
8
0.5981
0.2398
0.4984
0.7000
O
9
0.2500
0.3480
0.7500
0.3200
Al=0.8680, Fe=0.1320
10
0.2500
0.1580
0.2500
0.4300
Mg=0.8150, Fe=0.1850
11
0.2500
0.5521
0.2500
0.8600
Na=0.6860, Ca=0.3140
12
0.2500
0.9502
0.7500
0.8200
Ca=0.7160, Na=0.2840