Information card for entry 1562944

Structure parameters

• Common name: Cesium Nickel Bromide
• Formula: Br3 Cs Ni
• Calculated formula: Br3 Cs Ni
• SMILES: [Ni]12(Br)(Br)(Br)[Br][Ni]([Br]1)[Br]2.[Cs+].[Cs+]
• Title of publication: Syntheses and structure of hydrothermally prepared CsNiX3 (X=Cl, Br, I)
• Authors of publication: Raw, Adam D.; Ibers, James A.; Poeppelmeier, Kenneth R.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2012
• Journal volume: 192
• Pages of publication: 34 - 37
• a: 7.4312 ± 0.0001 Å
• b: 7.4312 ± 0.0001 Å
• c: 6.2023 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 296.621 ± 0.007 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0167
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No