HIARNEITE [1], structure type - calzirtite, DF

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.5134
0.2366
0.8750
1.5000
Zr=0.1600, Mn=0.0900
2
0.8383
0.2321
0.3604
1.0200
Zr
3
0.3320
0.0820
0.3750
0.5500
Ti=0.1500, Sb=0.3400
4
0.6678
0.0822
0.3750
0.6400
Ca=0.4000, Mn=0.1600, Na=0.0400
5
0.2435
0.1719
0.7054
0.7500
O
6
0.0654
0.1707
-0.0059
0.7700
O
7
0.6141
0.1667
0.0014
0.9600
O
8
0.2500
0.0373
0.5000
0.7800
O
9
0.2500
0.1806
0.0000
0.7000
O