Research Article
Phase Stability and Site Preference of Tb-Fe-Co-V Compounds
Table 2
Comparison of calculated and experimental unit cell parameters.
| | | | | | | | Tb3Fe27.4V1.6 | Tb3Fe27.3Co0.1V1.6 | Tb3Fe27.2Co0.2V1.6 | Tb3Fe27.1Co0.3V1.6 | Tb3Fe27.0Co0.4V1.6 |
| (Å) | | | | | | Cal. | 10.5433 | 10.5424 | 10.5418 | 10.5411 | 10.5406 | Exp. | 10.557 (1) | 10.545 (1) | 10.537 (1) | 10.519 (1) | 10.511 (1) | Err. (%) | | | 0.2168 | 0.2101 | 0.2816 | (Å) | | | | | | Cal. | 8.4647 | 8.4647 | 8.4643 | 8.4638 | 8.4635 | Exp. | 8.497 (1) | 8.496 (1) | 8.490 (1) | 8.476 (1) | 8.461 (1) | Err. (%) | | | | | 0.0295 | (Å) | | | | | | Cal. | 9.7196 | 9.7189 | 9.7185 | 9.7181 | 9.7176 | Exp. | 9.669 (1) | 9.672 (1) | 9.669 (1) | 9.658 (1) | 9.645 (1) | Err. (%) | 0.5233 | 0.4849 | 0.5119 | 0.6223 | 0.7527 | (deg) | | | | | | Cal. | 97.0681 | 97.0703 | 97.0698 | 97.0690 | 97.0691 | Exp. | 96.89 | 96.72 | 96.72 | 96.71 | 96.74 | Err. (%) | 0.18 | 0.31 | 0.3617 | 0.3712 | 0.3402 |
|
|