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| Sample | ZnO |
|---|---|
| Cell parameter | |
| Crystal structure | Hexagonal |
| Space group | P63mc |
| Point group | 6 mm or C6v |
| a (Å) | 3.25 |
| b (Å) | 3.25 |
| c (Å) | 5.21 |
| α | 90 |
| β | 90 |
| ϒ | 120 |
| Volume (Å3) | 47.61 |
| Density (g cm−3) | 5.68 |
| Positional parameter | |
| Zn x | 0.3333 |
| Zn y | 0.6667 |
| Zn z | 0.0024 |
| O x | 0.3333 |
| O y | 0.6667 |
| O z | 0.3814 |
| Site occupation | |
| Zn | 1.0 |
| O | 1.0 |
| Agreement factors | |
| R WP | 15.8 |
| R P | 11.7 |
| R EXP | 12.0 |
| χ 2 | 1.74 |
