PARAERSHOVITE [1], DN

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.5687
0.1350
0.8203
0.0000
K=0.9600
2
0.5000
0.5000
0.5000
0.0000
K
3
0.9757
0.8611
0.4609
0.0000
Na=0.8100
4
0.9901
0.7410
0.8855
0.0000
Na=0.4100
5
0.0055
0.4247
0.7006
0.0000
Fe=0.4400, Mn=0.3400, Ti=0.2200
6
0.7375
0.2834
0.4291
0.0000
Si
7
0.7165
0.6736
0.1360
0.0000
Si
8
0.7337
0.4194
0.9938
0.0000
Si
9
0.6781
0.8125
0.7010
0.0000
Si
10
0.6735
0.3522
0.6954
0.0000
O
11
0.8952
0.2965
0.4822
0.0000
O
12
0.6525
0.7284
0.8982
0.0000
O
13
0.8735
0.6832
0.1747
0.0000
O
14
0.8919
0.4392
0.0176
0.0000
O
15
0.8233
0.8724
0.7639
0.0000
O
16
0.6602
0.5397
0.0558
0.0000
O
17
0.6503
0.7323
0.4004
0.0000
O
18
0.6832
0.3468
0.1941
0.0000
O
19
0.6773
0.1541
0.3523
0.0000
O
20
0.5653
0.9052
0.7303
0.0000
O
21
0.8933
0.5458
0.5733
0.0000
O
22
0.8581
0.9925
0.2831
0.0000
O
23
0.8890
0.1560
0.9040
0.0000
O=0.5000
24
0.8560
0.1130
0.8220
0.0000
O=0.5000
25
0.4810
0.8750
0.6920
0.0000
H
26
0.8820
0.6030
0.7140
0.0000
H
27
0.8470
0.9530
0.1110
0.0000
H
28
0.7890
0.0380
0.3100
0.0000
H
29
0.9690
0.1790
0.0100
0.0000
H=0.5000
30
0.8600
0.0790
0.9100
0.0000
H=0.5000
31
0.7860
0.1300
0.6640
0.0000
H=0.5000
32
0.7990
0.1300
0.9800
0.0000
H=0.5000