Table 2. Main distances and angles in YTiO3 .
i, j, k… are symmetry related atoms.
Distance ( ) |
Angle (°) | ||
|---|---|---|---|
| Ti—O1 | 2.0164 (8) | O2—Ti—O1 | 89.51 (2) |
| Ti—O2 | 2.0194 (9) | O2′—Ti—O1 | 86.62 (2) |
| Ti—O2′ | 2.0784 (7) | O2′—Ti—O2 | 89.37 (4) |
| Y—O1 | 2.2343 (12) | O1—Y—O2 | 100.35 (2) |
| Y—O1i | 2.3098 (10) | O2—Y—O2j | 79.48 (3) |
| Y—O2 | 2.2778 (7) | O1—Y—O1i | 88.04 (3) |
| Y—O2j | 2.2778 (7) | O1i—Y—O2j | 138.88 (2) |
| Y—O2k | 2.5008 (9) | O2k—Y—O1 | 137.99 (2) |
| Y—O2l | 2.5008 (9) | O2k—Y—O2 | 119.04 (3) |
| Y—O2m | 2.6773 (10) | O2k—Y—O2j | 74.98 (3) |
| Y—O2n | 2.6773 (10) | Ti—O1—Ti | 140.10 (2) |
| Ti—O2—Ti | 143.73 (2) |
