Table 2.
Ion positions of the orthorhombic β′-Ta2O5 structure with lattice parameters for two formula units in the c direction of a = 6.425 Å, b = 3.769 Å and c = 7.706 Å.
| Ion | x | y | z | Occupancy |
|---|---|---|---|---|
| Ta1 | 0.00 | 0.00 | 0.00 | 1 |
| Ta2 | 0.45 | 0.41 | 0.00 | 1 |
| Ta3 | 0.00 | 0.91 | 0.50 | 1 |
| Ta4 | 0.45 | 0.50 | 0.50 | 1 |
| O1 | 0.98 | 0.95 | 0.25 | 1 |
| O2 | 0.46 | 0.45 | 0.25 | 1 |
| O3 | 0.11 | 0.47 | 0.00 | 1 |
| O4 | 0.34 | 0.94 | 0.00 | 1 |
| O5a | 0.72 | 0.20 | 0.00 | 1 |
| O6 | 0.98 | 0.95 | 0.75 | 1 |
| O7 | 0.47 | 0.45 | 0.75 | 1 |
| O8 | 0.11 | 0.44 | 0.50 | 1 |
| O9 | 0.34 | 0.97 | 0.50 | 1 |
| O5b | 0.72 | 0.70 | 0.50 | 1 |