Information card for entry 4310932

Structure parameters

• Formula: Cs P Se6
• Calculated formula: Cs P Se6
• Title of publication: APSe6 (A = K, Rb, and Cs): Polymeric Selenophosphates with Reversible Phase-Change Properties
• Authors of publication: In Chung; Junghwan Do; Christian G. Canlas; David P. Weliky; Mercouri G. Kanatzidis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2762 - 2764
• a: 6.877 ± 0.003 Å
• b: 12.713 ± 0.004 Å
• c: 11.242 ± 0.004 Å
• α: 90°
• β: 92.735 ± 0.007°
• γ: 90°
• Cell volume: 981.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No