BUKOVSKYITE [1]

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.3023
0.7999
0.2773
0.0000
Fe
2
0.1332
0.8193
0.5765
0.0000
Fe
3
-0.2687
0.8842
0.4542
0.0000
As
4
0.7088
0.7988
0.9158
0.0000
S
5
-0.1317
0.7815
0.4982
0.0000
O
6
0.1969
0.7349
0.3934
0.0000
O
7
-0.1588
0.9788
0.3901
0.0000
O
8
0.3538
0.8522
0.1224
0.0000
O
9
-0.4449
0.7730
0.3309
0.0000
O
10
0.7852
0.8967
0.8667
0.0000
O
11
0.6669
0.8827
1.0526
0.0000
O
12
0.2610
0.5896
0.1167
0.0000
O
13
-0.3408
0.9952
0.5960
0.0000
O
14
0.0937
0.8825
0.7740
0.0000
O
15
0.5440
0.7100
0.8164
0.0000
O
16
0.0376
0.8139
0.1957
0.0000
O
17
0.4048
0.8529
0.6692
0.0000
O
18
0.8418
0.7027
0.9297
0.0000
O
19
0.1354
0.6251
0.5745
0.0000
O
20
-0.3540
0.4932
0.1378
0.0000
H2O
21
0.0205
0.5271
0.7440
0.0000
H2O
22
-0.3179
0.5768
0.5548
0.0000
H2O
23
0.3110
0.9260
0.1190
0.0000
H
24
0.4590
0.8450
0.0920
0.0000
H
25
-0.4370
0.4310
0.1490
0.0000
H
26
-0.3850
0.5800
0.1770
0.0000
H
27
0.1300
0.5180
0.7820
0.0000
H
28
-0.0290
0.5930
0.8100
0.0000
H
29
-0.0070
0.7750
0.1110
0.0000
H
30
-0.0400
0.8570
0.2480
0.0000
H
31
0.2070
0.5590
0.5320
0.0000
H
32
0.0810
0.6010
0.6310
0.0000
H
33
-0.0100
0.8780
0.8020
0.0000
H
34
0.1640
0.9590
0.8330
0.0000
H
35
0.3080
0.5710
0.0420
0.0000
H
36
0.2490
0.5130
0.1280
0.0000
H
37
-0.3900
0.5860
0.6080
0.0000
H
38
-0.2530
0.6490
0.6080
0.0000
H
39
0.1400
0.6620
0.3540
0.0000
H
40
0.4950
0.8930
0.6430
0.0000
H
41
0.4370
0.7960
0.7030
0.0000
H