Information card for entry 7714751

Structure parameters

• Formula: Br Ce O4 W
• Calculated formula: Br Ce O4 W
• Title of publication: Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO₄ (Ha = Cl, Br; VI = Mo, W).
• Authors of publication: Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2029 - 2038
• a: 9.8783 ± 0.0001 Å
• b: 5.9223 ± 0.0001 Å
• c: 7.9394 ± 0.0001 Å
• α: 90°
• β: 90.0083°
• γ: 90°
• Cell volume: 464.473 ± 0.011 ų
• Cell temperature: 296.4 ± 0.4 K
• Ambient diffraction temperature: 296.4 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0255
• Weighted residual factors for all reflections included in the refinement: 0.0256
• Goodness-of-fit parameter for significantly intense reflections: 1.84
• Goodness-of-fit parameter for all reflections included in the refinement: 1.83
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No