CALDERITE [2], structure type -
garnet
, theoretical
Atomic Positions
N/N
x/a
y/b
z/c
B(j)
Occupancy
1
0.1250
0.0000
0.2500
0.0000
Mn
2
0.0000
0.0000
0.0000
0.0000
Fe
3
0.3750
0.0000
0.2500
0.0000
Si
4
0.0367
0.0514
0.6572
0.0000
O