Information card for entry 1562946

Structure parameters

• Common name: Cesium nickel iodide
• Formula: Cs I3 Ni
• Calculated formula: Cs I3 Ni
• SMILES: [Ni]12(I)(I)(I)[I][Ni]([I]1)[I]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: 7.9469 ± 0.0002 Å
• b: 7.9469 ± 0.0002 Å
• c: 6.6575 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 364.114 ± 0.017 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: 0.0106
• Residual factor for significantly intense reflections: 0.0105
• Weighted residual factors for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.0358
• Goodness-of-fit parameter for all reflections included in the refinement: 3.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No