JADEITE [9], structure type - diopside, syn, DF

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.0000
0.3009
0.2500
0.0000
Na=0.5300, Ca=0.4700
2
0.0000
0.9050
0.2500
0.0000
Al=0.5200, Fe=0.4800
3
0.2884
0.0921
0.2298
0.0000
Si
4
0.1126
0.0808
0.1366
0.0000
O
5
0.3600
0.2554
0.3079
0.0000
O
6
0.3518
0.0133
0.0013
0.0000
O
7
0.0000
0.2570
0.2500
0.0000
Fe=0.0300