HOWARDEVANSITE [1], DF

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.7867
0.7956
0.7765
1.4000
Cu
2
0.5482
0.3924
0.1191
0.6500
Fe
3
0.2962
0.9852
0.4553
0.7600
Fe
4
0.4101
0.6672
0.3893
0.5500
V
5
0.8333
0.7393
0.2755
0.5300
V
6
0.7710
0.1259
0.0913
0.5200
V
7
0.0000
0.5000
0.5000
4.4400
Na
8
0.0234
0.5509
0.9840
2.8000
Na=0.5000
9
0.4450
0.8570
0.4201
0.6200
O
10
0.4821
0.3502
0.3713
0.9300
O
11
0.8014
0.5556
0.2637
1.1100
O
12
0.2201
0.1642
0.5035
0.8600
O
13
0.2729
0.0075
0.1599
1.0200
O
14
0.4729
0.5794
0.1701
0.8200
O
15
0.7287
0.7421
0.0244
1.0000
O
16
0.0552
0.8210
0.3184
1.2400
O
17
0.1981
0.5800
0.3385
1.6500
O
18
0.9907
0.2365
0.1897
1.4600
O
19
0.7176
0.0361
0.2674
1.2200
O
20
0.6592
0.2444
0.0678
1.2500
O