JORDANITE [2], DF

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.4469
0.0547
0.3504
1.6500
Pb
2
0.4392
0.0519
0.8422
2.0100
Pb=0.5000, As=0.5000
3
0.9040
0.0412
0.3167
1.6500
Pb
4
0.9194
0.0526
0.8299
0.8500
As
5
0.2648
0.1423
-0.0028
2.1000
Pb
6
0.2759
0.1428
0.5082
1.5400
As
7
0.7904
0.1507
0.0176
1.5400
Pb
8
0.7925
0.1502
0.5149
1.3800
Pb
9
0.1222
0.2500
0.1714
1.8800
Pb
10
0.1215
0.2500
0.6896
1.8300
Pb
11
0.6158
0.2265
0.1766
1.2500
As=0.5000
12
0.5504
0.2500
0.6395
2.5500
Pb=0.8800
13
0.3095
0.0031
0.0123
1.3400
(S)
14
0.3067
0.0051
0.5504
1.2200
(S)
15
0.0460
0.0862
0.1005
0.8900
(S)
16
0.0511
0.0853
0.6864
0.8800
(S)
17
0.6520
0.0969
0.2028
1.0400
(S)
18
0.6733
0.0910
0.7073
0.8700
(S)
19
0.4061
0.1767
0.3744
1.7100
(S)
20
0.4021
0.1774
0.7699
1.3800
(S)
21
0.0307
0.1791
0.3838
0.8600
(S)
22
0.9940
0.1935
0.8688
0.9200
(S)
23
0.3783
0.2617
0.0550
0.7900
(S)=0.5000
24
0.7520
0.2500
0.0320
1.7600
(S)
25
0.7521
0.2500
0.4550
1.5600
(S)