Information card for entry 1570283

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: 7.0714 ± 0.0002 Å
• b: 7.0714 ± 0.0002 Å
• c: 19.5972 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 848.66 ± 0.05 ų
• Cell temperature: 600 ± 0.4 K
• Ambient diffraction temperature: 600 ± 0.4 K
• Number of distinct elements: 5
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No