Information card for entry 4001077

Structure parameters

• Formula: O5 Pb3 Se
• Calculated formula: O5 Pb3 Se
• Title of publication: Noncentrosymmetric Polar Oxide Material, Pb3SeO5: Synthesis, Characterization, Electronic Structure Calculations, and Structure−Property Relationships
• Authors of publication: Kim, Sang-Hwan; Yeon, Jeongho; Halasyamani, P. Shiv
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 5335
• a: 10.5211 ± 0.0013 Å
• b: 10.7151 ± 0.0013 Å
• c: 5.7452 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 647.68 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No