Information card for entry 4001795

Structure parameters

• Formula: C4 H4 Lu Na5 O14
• Calculated formula: C4 H4 Lu Na5 O14
• SMILES: O.[Lu]1234(OC(=O)O2)(OC(=O)O3)(OC(O4)=O)OC(=O)O1.[Na+].[Na+].O.[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: 7.5879 ± 0.0003 Å
• b: 7.5879 ± 0.0003 Å
• c: 11.5313 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 663.93 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0145
• Residual factor for significantly intense reflections: 0.0139
• Weighted residual factors for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections included in the refinement: 0.0309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No