IMHOFITE [1], syn, DF

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.0492
0.1587
-0.0266
4.1000
Tl
2
0.2692
0.4626
0.4000
4.9000
Tl=0.2700
3
0.1710
0.4579
0.3720
5.0000
Tl=0.1300
4
0.9156
0.2629
0.2780
2.1000
As
5
0.8862
0.4074
0.2332
1.5000
As=0.7500
6
0.5781
0.1616
0.3288
1.3000
As
7
0.2225
0.4699
0.0965
1.6000
As=0.5000
8
0.7244
0.0330
0.1683
1.8000
As=0.5000
9
0.9137
0.0272
-0.0300
2.3000
(S)=0.5000
10
0.3814
0.0879
0.1220
3.0000
(S)
11
0.7431
0.3308
0.0740
2.5000
(S)
12
0.8171
0.1027
0.4370
2.6000
(S)
13
0.6782
0.4664
0.0740
2.7000
(S)=0.8300
14
0.1347
0.3175
0.4610
2.2000
(S)
15
0.3280
0.2507
0.0930
2.5000
(S)