Information card for entry 7235117

Structure parameters

• Formula: Cs O15 P5 Pb2
• Calculated formula: Cs O15 P5 Pb2
• Title of publication: KPb2(PO3)5: a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge
• Authors of publication: Maierhaba Abudoureheman; Shujuan Han; Bing-Hua Lei; Zhihua Yang; Xifa Long; Shilie Pan
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 10630 - 10637
• a: 8.547 ± 0.0016 Å
• b: 7.1652 ± 0.0013 Å
• c: 10.8277 ± 0.0018 Å
• α: 90°
• β: 90.898 ± 0.011°
• γ: 90°
• Cell volume: 663 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No