Information card for entry 4001793

Structure parameters

• Formula: C3 F Lu Na4 O8
• Calculated formula: C3 F Lu Na4 O9
• SMILES: [Lu+3].[F-].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• Title of publication: Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials
• Authors of publication: Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan
• Journal of publication: Chemistry of Materials
• Year of publication: 2013
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 3147
• a: 8.007 ± 0.003 Å
• b: 15.91 ± 0.005 Å
• c: 13.916 ± 0.005 Å
• α: 90°
• β: 101.318 ± 0.004°
• γ: 90°
• Cell volume: 1738.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No