5. Bulk Modulus (K o) and Volume (V o) at 0 GPa for the Three Polymorphs of Fe0.9Al0.1VO4 and the Same Polymorphs of FeVO4 .
| phase |
Fe0.9Al0.1VO4
|
FeVO4
|
||
|---|---|---|---|---|
| V o present study (Å3) | Ko present study (GPa) | Ko previous studies (GPa) | reference | |
| phase I | 468.6(6) | 67(4) | 80(4) | single-crystal XRD |
| 87.3 | DFT calculations | |||
| 76(3) | powder XRD | |||
| phase I′ | 421(2) | 132(11) | 181(17) | single-crystal XRD |
| 167.5 | DFT calculations | |||
| phase IV | 363.3(9) | 150(9) | 174(8) | powder XRD |
| 206.7 | DFT calculations | |||