Information card for entry 4001796

Structure parameters

• Formula: C2 F Lu Na2 O6
• Calculated formula: C2 F Lu Na2 O6
• SMILES: [Lu+3].[Na+].[Na+].[O-]C(=O)[O-].[O-]C(=O)[O-].[F-]
• 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: 17.534 ± 0.004 Å
• b: 6.1084 ± 0.0014 Å
• c: 11.285 ± 0.003 Å
• α: 90°
• β: 95.429 ± 0.016°
• γ: 90°
• Cell volume: 1203.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No