MAGNUSSONITE [1], DF

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.2500
0.3750
0.0000
0.0000
Mn=0.9500, Mg=0.0500
2
0.2326
0.1250
0.0174
0.0000
Mn=0.3300, Cu=0.1700
3
0.3750
0.2642
0.0142
0.0000
Mn=0.9400, Mg=0.0600
4
0.1127
0.3627
0.1250
0.0000
Mn=0.9000, Mg=0.1000
5
0.4991
0.3662
0.0084
0.0000
As
6
0.5698
0.3201
0.0366
0.0000
O
7
0.4612
0.3184
-0.0568
0.0000
O
8
0.4445
0.3338
0.0727
0.0000
O
9
0.1414
0.1086
0.1250
0.0000
(Cl)=0.2700, OH=0.0700
10
0.0075
0.0134
-0.0007
0.0000
Mn=0.1600