Information card for entry 2105559

Structure parameters

• Formula: Cs2 H3 O8 P S
• Calculated formula: Cs2 H3 O8 P S
• Title of publication: Structure and thermal behavior of the new superprotonic conductor Cs~2~(HSO~4~)(H~2~PO~4~)
• Authors of publication: Chisholm, Calum R. I.; Haile, Sossina M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 937 - 946
• a: 7.856 ± 0.008 Å
• b: 7.732 ± 0.007 Å
• c: 7.827 ± 0.007 Å
• α: 90°
• β: 99.92 ± 0.04°
• γ: 90°
• Cell volume: 468.3 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No