PLUMBOPERLOFFITE [1], structure type - bjarebyite

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.5309
0.7500
0.8161
0.0000
Pb=0.9200, Ca=0.0400, Ba=0.0100, K=0.0100
2
0.2986
-0.1084
0.2036
0.0000
Mn=0.9200, Fe=0.0700
3
0.0949
0.3978
0.1345
0.0000
Fe=0.9850, Al=0.0150
4
0.1628
0.7500
0.6835
0.0000
P
5
0.3351
0.4424
0.7173
0.0000
P
6
0.2878
0.7500
0.9401
0.0000
O
7
0.2374
0.7500
0.4344
0.0000
O
8
0.0698
0.6478
0.6877
0.0000
O
9
0.3775
0.5521
0.6183
0.0000
O
10
0.2655
0.4584
0.9764
0.0000
O
11
0.2256
0.3832
0.4964
0.0000
O
12
0.4718
0.3689
0.8075
0.0000
O
13
0.1341
0.2500
0.0026
0.0000
OH
14
0.0617
0.5601
0.1952
0.0000
OH
15
0.2040
0.2500
-0.0800
0.0000
H
16
0.0530
0.5900
0.3340
0.0000
H