Information card for entry 7700287

Structure parameters

• Formula: Br Cd Cs3 O12 V4
• Calculated formula: Br Cd Cs3 O12 V4
• Title of publication: Cs₂CdV₂O₆Cl₂ and Cs₃CdV₄O₁₂Br: two new non-centrosymmetric oxyhalides containing d⁰ and d¹⁰ cations and exhibiting second harmonic generation activity.
• Authors of publication: Li, Yanjun; Zhang, Dan; Liu, Lili; Zhang, Weiguo; Zhang, Jiang; Cong, Ye; Li, Xuanke; Halasyamani, P. Shiv
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 10642 - 10651
• a: 8.61 ± 0.003 Å
• b: 17.215 ± 0.006 Å
• c: 5.733 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 849.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 35
• Hermann-Mauguin space group symbol: C m m 2
• Hall space group symbol: C 2 -2
• Residual factor for all reflections: 0.014
• Residual factor for significantly intense reflections: 0.0139
• Weighted residual factors for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No