Information card for entry 2300674

Structure parameters

• Formula: Cu K Na O8 S2
• Calculated formula: Cu K Na O8 S2
• Title of publication: Expanding the family of mineral-like anhydrous alkali copper sulfate framework structures: new phases, topological analysis and evaluation of ion migration potentialities
• Authors of publication: Borisov, Artem S.; Siidra, Oleg I.; Kovrugin, Vadim M.; Golov, Andrey A.; Depmeier, Wulf; Nazarchuk, Evgeny V.; Holzheid, Astrid
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2021
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 237 - 250
• a: 15.9721 ± 0.001 Å
• b: 9.4576 ± 0.0006 Å
• c: 9.0679 ± 0.0006 Å
• α: 90°
• β: 93.635 ± 0.001°
• γ: 90°
• Cell volume: 1367.02 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes