BERBORITE [1], 1T

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.0000
0.0000
0.5000
0.5800
B
2
0.6667
0.3333
0.6085
0.6600
Be
3
0.3333
0.6667
0.4030
0.6600
Be
4
0.3089
0.9999
0.5000
0.7400
O
5
0.6667
0.3333
0.9089
1.4800
O
6
0.3333
0.6667
0.0924
1.6100
O
7
-0.4380
0.4270
0.9830
3.5000
H=0.5000
8
0.4590
-0.4440
0.0200
3.5000
H=0.5000