AENIGMATITE [1], structure type - aenigmatite

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.0000
0.0000
0.5000
0.8900
Fe
2
0.0000
0.5000
0.0000
0.8500
Fe
3
0.3193
0.8513
0.1779
0.9100
Fe
4
0.7670
0.8203
0.1517
0.6800
Fe
5
0.0952
0.9382
0.0522
0.9800
Fe
6
0.5962
0.9435
0.0662
0.8200
Fe
7
0.9970
0.7428
0.2565
0.6200
Ti
8
0.2092
0.6289
0.3893
1.3300
Na
9
0.6627
0.6127
0.3733
1.4200
Na
10
0.4798
0.2333
0.3311
0.8200
Si
11
0.9879
0.2363
0.3456
0.6800
Si
12
0.7925
0.3435
0.2424
0.8400
Si
13
0.2782
0.3364
0.2257
0.8600
Si
14
0.6478
0.9448
0.4450
0.7600
Si
15
0.3525
0.5573
0.0501
0.7800
Si
16
0.3600
0.0684
0.1630
1.0200
O
17
0.8640
0.0688
0.1800
1.4100
O
18
0.5488
0.9535
0.2957
1.2000
O
19
0.0087
0.9233
0.2648
1.1900
O
20
0.2364
0.8751
0.3951
1.1900
O
21
0.7523
0.8821
0.3912
1.1000
O
22
0.4967
0.1947
0.4965
1.0000
O
23
0.9603
0.7756
0.4843
0.9800
O
24
0.9069
0.3300
0.3717
1.4400
O
25
0.4091
0.3408
0.3539
0.7500
O
26
0.6710
0.1773
0.0749
1.4400
O
27
0.1565
0.1694
0.0646
1.0200
O
28
0.5197
0.7094
0.0365
1.0400
O
29
0.0671
0.7334
0.0776
0.7800
O
30
0.2453
0.6098
0.1152
1.5100
O
31
0.7572
0.6022
0.1230
1.3900
O
32
0.4040
0.4995
0.1882
1.0100
O
33
0.9370
0.5164
0.2269
1.1500
O
34
0.1708
0.3661
0.3271
0.9100
O
35
0.6749
0.3640
0.3422
0.9300
O