LOVERINGITE [1], structure type - crichtonite

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.0000
0.0000
0.0000
2.1100
Ca=0.7200, La=0.2300, Y=0.0500
2
0.5000
0.5000
0.5000
0.7700
Zr=0.5800, La=0.1000, Mg=0.3200
3
0.3109
0.3109
0.3109
0.6900
Mg=0.3000, Fe=0.6200
4
0.3475
0.1232
0.0216
0.7200
Cr=0.3800, Fe=0.3500, Ti=0.1800
5
0.3084
0.7208
0.1459
0.6300
Ti=0.9700, Al=0.0300
6
0.4761
0.0815
0.6398
0.7500
Ti=0.9700, Al=0.0300
7
0.3058
0.6269
0.3801
0.9200
O
8
0.1523
0.2378
0.9393
1.1400
O
9
0.9211
0.4571
0.3002
0.4700
O
10
0.1427
0.5149
0.9908
1.1600
O
11
0.3901
0.4896
0.1345
1.1100
O
12
0.7104
0.2410
0.0699
0.5500
O
13
0.2120
0.2120
0.2120
0.5500
O