Element | Coordinates | Ba2ZnWO6 | Ba2Zn0.75Ni0.25WO6 | Ba2Zn0.50Ni0.50WO6 | Ba2Zn0.25Ni0.75WO6 | Ba2NiWO6 |
Fm-3m | Fm-3m | Fm-3m | Fm-3m | Fm-3m | ||
Ba1+2/Ba2+2 | X | 0.2500 | 0.2500 | 0.2500 | 0.2500 | 0.2500 |
Y | 0.2500 | 0.2500 | 0.2500 | 0.2500 | 0.2500 | |
Z | 0.2500 | 0.2500 | 0.2500 | 0.2500 | 0.2500 | |
Zn+2 | X | 0.5000 | 0.5000 | 0.5000 | 0.5000 |
|
Y | 0.5000 | 0.5000 | 0.5000 | 0.5000 |
| |
Z | 0.5000 | 0.5000 | 0.5000 | 0.5000 |
| |
Ni+2 | X |
| 0.5000 | 0.5000 | 0.5000 | 0.5000 |
Y |
| 0.5000 | 0.5000 | 0.5000 | 0.5000 | |
Z |
| 0.5000 | 0.5000 | 0.5000 | 0.5000 | |
W+6 | X | 0.0000 | 0.0000 | 0.0000 | 0.0000 | 0.0000 |
Y | 0.0000 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | |
Z | 0.0000 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | |
O1−2/O2−2 | X | 0.2399 | 0.23697 | 0.21735 | 0.23495 | 0.23317 |
Y | 0.0000 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | |
Z | 0.0000 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | |
a/b/c (nm) |
| 8.118340 | 8.108754 | 8.097554 | 8.082387 | 8.080683 |
α/β/γ |
| 90 | 90 | 90 | 90 | 90 |
V (nm3) |
| 535.0590 | 533.166 | 530.960 | 527.982 | 527.648 |
Crystallite size (nm) |
| 105.09 | 126.77 | 110.53 | 71.91 | 148.71 |
Tolerance factor |
| 1.008 | 1.01 | 1.014 | 1.017 | 1.02 |