Information card for entry 1570708

Structure parameters

• Formula: K Na O4 S
• Calculated formula: K Na O3.9999 S
• Title of publication: Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions
• Authors of publication: Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav
• Journal of publication: Crystals
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 27
• a: 5.669 ± 0.005 Å
• b: 5.669 ± 0.005 Å
• c: 7.75 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 215.7 ± 0.3 ų
• Cell temperature: 773 ± 0.6 K
• Ambient diffraction temperature: 773 K
• Number of distinct elements: 4
• 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: 0.1185
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for significantly intense reflections: 2.74
• Goodness-of-fit parameter for all reflections included in the refinement: 1.74
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No