PARACOQUIMBITE [1]

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.0000
0.0000
0.0000
3.4000
Fe
2
0.0000
0.0000
0.5000
3.6000
Fe
3
0.0000
0.0000
0.2507
3.2000
Fe
4
0.0000
0.0000
0.1667
3.2000
Fe
5
0.0000
0.0000
0.6652
3.5000
Fe
6
0.2490
0.4169
0.8756
1.8000
S
7
0.5840
0.7554
0.9593
1.8000
S
8
0.3250
0.3490
0.8650
2.4000
O
9
0.6550
0.6820
0.9697
2.7000
O
10
0.1140
0.3100
0.8855
2.5000
O
11
0.6850
0.8920
0.9486
2.4000
O
12
0.2230
0.4930
0.8545
2.1000
O
13
0.5040
0.7780
0.9807
2.1000
O
14
0.3390
0.5200
0.8960
1.7000
O
15
0.4810
0.6620
0.9388
2.0000
O
16
0.1710
0.0730
0.8553
2.5000
O
17
0.9290
0.8260
0.9787
2.9000
O
18
0.4460
0.1140
0.9016
2.8000
O
19
0.8860
0.5500
0.9290
2.7000
O
20
0.5960
0.4340
0.8552
2.7000
O
21
0.5750
0.4100
0.9755
2.9000
O