OMPHACITE [4], structure type - omphacite, Fe

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.7500
0.6560
0.2500
0.5600
Fe=0.7860, Al=0.2140
2
0.7500
0.8499
0.7500
0.4400
Fe=0.2510, Al=0.7490
3
0.7500
0.0520
0.2500
1.4000
Ca=0.2600, Na=0.7400
4
0.7500
0.4526
0.7500
1.1500
Ca=0.6720, Na=0.3280
5
0.0402
0.8464
0.2305
0.5100
Si
6
0.0382
0.6647
0.7353
0.4900
Si
7
0.8646
0.8400
0.1227
0.6800
O
8
0.8632
0.6798
0.6559
0.6600
O
9
0.1156
0.0088
0.3088
0.7300
O
10
0.1041
0.5002
0.8058
0.9000
O
11
0.1072
0.7661
0.0102
0.7000
O
12
0.0972
0.7428
0.5024
0.6100
O