ANDRADITE [22], structure type -
garnet
Atomic Positions
N/N
x/a
y/b
z/c
B(j)
Occupancy
1
0.0000
0.2500
0.1250
0.0000
Ca=0.9730, Mg=0.0160, Fe=0.0110
2
0.0000
0.0000
0.0000
0.0000
Fe=0.6970, Al=0.1390, Ti=0.1640
3
0.3750
0.0000
0.2500
0.0000
Si
4
0.0382
0.4521
0.1537
0.0000
O