Information card for entry 7209604

Structure parameters

• Formula: B3 Cd5 F O9
• Calculated formula: B3 Cd5 F O9
• Title of publication: Synthesis, structure, and characterization of a new promising nonlinear optical crystal: Cd5(BO3)3F
• Authors of publication: Zou, Guohong; Zhang, Liyuan; Ye, Ning
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 2422
• a: 8.057 ± 0.003 Å
• b: 15.966 ± 0.006 Å
• c: 3.447 ± 0.0016 Å
• α: 90°
• β: 100.06 ± 0.03°
• γ: 90°
• Cell volume: 436.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No