Information card for entry 4310930

Structure parameters

• Formula: K P Se6
• Calculated formula: K P Se6
• SMILES: P1(=[Se])([Se-])[Se][Se][Se][Se]1.[K+]
• 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: 11.491 ± 0.012 Å
• b: 6.791 ± 0.007 Å
• c: 11.289 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 880.9 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No