DIOPSIDE [42], "distorted" structure type - diopside, Di(80)En(20), at 400'C, DF

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.0000
0.9065
0.2500
0.0100
Mg
2
0.0000
0.2998
0.2500
0.0200
Ca=0.8000
3
0.0000
0.2573
0.2500
0.0200
Mg=0.2000
4
0.2878
0.0926
0.2348
0.0100
Si
5
0.1166
0.0881
0.1433
0.0100
O
6
0.3635
0.2484
0.3249
0.0200
O
7
0.3503
0.0177
0.0010
0.0200
O