DIOPSIDE [83], structure type - diopside, Fe-analogue

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.0000
0.3038
0.2500
0.4100
Ca
2
0.0000
0.9067
0.2500
0.9300
Mg=0.6410, Fe=0.3590
3
0.2866
0.0939
0.2260
0.4300
Si=0.8000, Fe=0.2000
4
0.1159
0.0891
0.1402
0.7000
O
5
0.3639
0.2546
0.3186
0.8000
O
6
0.3530
0.0229
0.9953
1.1000
O