KULANITE [1], structure type - bjarebyite

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.5470
0.7500
0.7410
0.8200
Ba
2
0.2952
-0.1102
0.2092
0.7800
Al=0.9350, Fe=0.0650
3
0.0914
0.4005
0.1287
0.6100
Fe=0.5940, Mn=0.0430, Mg=0.3000
4
0.1559
0.7500
0.6860
0.6200
P
5
0.3326
0.4418
0.7046
0.6400
P
6
0.2781
0.7500
0.9471
0.9400
O
7
0.2313
0.7500
0.4325
0.9000
O
8
0.0595
0.6453
0.6865
0.9600
O
9
0.3679
0.5565
0.6099
1.0400
O
10
0.2581
0.4521
0.9668
1.0300
O
11
0.2266
0.3810
0.4700
1.1500
O
12
0.4737
0.3700
0.7881
1.0900
O
13
0.1236
0.2500
0.0067
0.9800
O
14
0.0593
0.5572
0.1907
0.9300
O
15
0.1170
0.2280
0.1860
1.0000
H
16
0.0340
0.5990
0.3460
1.0000
H