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Information card for entry 2300112
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| Coordinates | 2300112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | zinc_oxide |
|---|---|
| Formula | O Zn |
| Calculated formula | O Zn |
| SMILES | [Zn+2].[O-2] |
| Title of publication | High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape |
| Authors of publication | Sowa, Heidrun; Ahsbahs, Hans |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2006 |
| Journal volume | 39 |
| Journal issue | 2 |
| Pages of publication | 169 - 175 |
| a | 3.2494 ± 0.0002 Å |
| b | 3.2494 ± 0.0002 Å |
| c | 5.2054 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 47.598 ± 0.005 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 186 |
| Hermann-Mauguin space group symbol | P 63 m c |
| Hall space group symbol | P 6c -2c |
| Residual factor for all reflections | 0.0149 |
| Residual factor for significantly intense reflections | 0.0149 |
| Weighted residual factors for all reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0369 |
| Goodness-of-fit parameter for all reflections | 1.446 |
| Goodness-of-fit parameter for significantly intense reflections | 1.446 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.