Information card for entry 2312502

Structure parameters

• Formula: Cs4 H5 O16 P S3
• Calculated formula: Cs4 H5 O16 P S3
• Title of publication: Features of the crystal structure and surface of superprotonic conductor caesium hydrogen sulfate phosphate.
• Authors of publication: Makarova, Irina P.; Isakova, Natalia N.; Kalyukanov, Andrey I.; Gainutdinov, Radmir V.; Tolstikhina, Alla L.; Komornikov, Vladimir A.
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 3
• a: 19.95 ± 0.03 Å
• b: 7.856 ± 0.009 Å
• c: 8.98 ± 0.01 Å
• α: 90°
• β: 100.12 ± 0.02°
• γ: 90°
• Cell volume: 1386 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1119
• Residual factor for significantly intense reflections: 0.1119
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for significantly intense reflections: 3.54
• Goodness-of-fit parameter for all reflections included in the refinement: 3.54
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.06 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes