Information card for entry 2300112

Structure parameters

• 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 ų
• 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