BARATOVITE [1]

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.3346
0.0705
0.2519
0.3600
Ti=0.8700, Zr=0.1300
2
0.2202
0.9274
0.5133
0.6200
Ca
3
0.1452
0.2832
0.5070
0.6400
Ca
4
0.0726
0.6383
0.5001
0.5800
Ca
5
0.0000
0.0000
0.5000
0.6000
Ca
6
0.0000
0.0712
0.2500
2.5200
K
7
0.6140
0.2655
0.3606
0.4600
Si
8
0.4310
0.3239
0.3600
0.4600
Si
9
0.3692
0.6354
0.3595
0.4700
Si
10
0.4915
0.8798
0.3606
0.4600
Si
11
0.6741
0.8151
0.3593
0.4600
Si
12
0.7385
0.5078
0.3623
0.4600
Si
13
0.6586
0.4025
0.3452
1.0500
O
14
0.6595
0.2238
0.4412
0.7800
O
15
0.6125
0.1442
0.3083
0.8300
O
16
0.5150
0.3099
0.3405
0.9400
O
17
0.3528
0.2401
0.3057
0.8100
O
18
0.4530
0.2834
0.4396
0.9100
O
19
0.4104
0.4884
0.3515
1.2300
O
20
0.2738
0.6532
0.3041
0.8900
O
21
0.3791
0.6511
0.4387
0.9200
O
22
0.4273
0.7486
0.3406
0.9500
O
23
0.5208
0.9200
0.4414
0.8000
O
24
0.4490
0.0046
0.3085
0.7500
O
25
0.5729
0.8206
0.3456
1.0700
O
26
0.7290
0.8529
0.4389
0.8900
O
27
0.6954
0.9063
0.3042
0.8100
O
28
0.6923
0.6570
0.3445
1.0300
O
29
0.7856
0.4759
0.3105
0.7900
O
30
0.8009
0.4988
0.4430
0.8700
O
31
0.1020
0.0691
0.4595
1.1400
F
32
0.5000
0.0843
0.2500
0.9000
Li
33
0.2465
0.3181
0.2488
1.0000
Li