FLUORAPATITE [17], structure type - apatite, at 25.8 GPa, DF

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.6667
0.3333
-0.0022
0.0000
Ca
2
-0.0174
0.2233
0.2500
0.0000
Ca
3
0.3717
0.3981
0.2500
0.0000
P
4
0.4854
0.3144
0.2500
0.0000
O
5
0.4795
0.5967
0.2500
0.0000
O
6
0.2537
0.3412
0.0636
0.0000
O
7
0.0000
0.0000
0.3990
0.0000
F=0.5000