Information card for entry 4341262

Structure parameters

• Formula: Cl0.6 H126.53 Hf18 O137.07 S12.7
• Calculated formula: Cl0.6 Hf18 O137.067 S12.7
• Title of publication: Aqueous hafnium sulfate chemistry: structures of crystalline precipitates.
• Authors of publication: Kalaji, Ali; Soderholm, L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11252 - 11260
• a: 33.7242 ± 0.0012 Å
• b: 33.7242 ± 0.0012 Å
• c: 17.3577 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17096.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No