Information card for entry 4003518

Structure parameters

• Formula: F Lu3 O12 Se4
• Calculated formula: F Lu3 O12 Se4
• Title of publication: Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution
• Authors of publication: Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 9.883 ± 0.003 Å
• b: 9.883 ± 0.003 Å
• c: 7.066 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 597.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No