AKERMANITE [9], structure type -
melilite
, at 2.78 GPa
Atomic Positions
N/N
x/a
y/b
z/c
B(j)
Occupancy
1
0.3336
0.1664
0.5050
1.1500
Ca
2
0.0000
0.0000
0.0000
0.8100
Mg
3
0.1405
0.3595
0.9348
0.6600
Si
4
0.5000
0.0000
0.1837
1.4000
O
5
0.1399
0.3601
0.2844
1.5000
O
6
0.0820
0.1848
0.7799
1.3000
O