Information card for entry 1570282

Structure parameters

• Formula: Cl F6 Na21 O28 S7
• Calculated formula: Cl F6 Na21 O28 S7
• Title of publication: Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability
• Authors of publication: Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V.
• Journal of publication: Symmetry
• Year of publication: 2023
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 1871
• a: 12.1859 ± 0.0003 Å
• b: 12.1859 ± 0.0003 Å
• c: 19.308 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2483.04 ± 0.12 ų
• Cell temperature: 300.1 ± 0.6 K
• Ambient diffraction temperature: 300.1 ± 0.6 K
• Number of distinct elements: 5
• Space group number: 157
• Hermann-Mauguin space group symbol: P 3 1 m
• Hall space group symbol: P 3 -2
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No