PHAUNOUXITE [1]

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.2598
0.1854
0.1645
0.9700
As
2
0.0859
0.6283
0.7746
0.8400
As
3
0.1682
0.5660
0.3208
1.0800
Ca
4
0.1084
0.3372
0.8407
1.0800
Ca
5
0.1605
0.9097
0.4957
1.2000
Ca
6
0.1814
0.2015
-0.0493
1.8000
O
7
0.1683
0.0845
0.3344
1.8000
O
8
0.3226
0.3166
0.2967
1.9000
O
9
0.3633
0.1436
0.0768
1.8000
O
10
-0.0452
0.6345
0.8097
1.2000
O
11
0.0535
0.4850
0.7066
1.3000
O
12
0.1501
0.7135
0.5617
1.2000
O
13
0.1687
0.6715
0.9993
1.4000
O
14
0.3618
0.7127
0.3905
2.9000
H2O
15
0.2515
0.4467
0.5563
1.9000
H2O
16
0.2759
0.4839
0.0635
1.6000
H2O
17
0.0554
0.2158
0.5053
1.4000
H2O
18
-0.0879
0.1696
0.8650
1.8000
H2O
19
0.0719
0.9804
0.7864
1.8000
H2O
20
0.3377
0.9390
0.3182
4.0000
H2O
21
0.3003
0.9697
0.7735
4.8000
H2O
22
0.4023
0.8017
0.8229
3.9000
H2O
23
0.4349
0.3049
0.7068
3.2000
H2O
24
0.4536
0.5426
0.7790
2.7000
H2O