Information card for entry 7714749

Structure parameters

• Formula: Br Ce Mo O4
• Calculated formula: Br Ce Mo O4
• 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: 9.7775 ± 0.0001 Å
• b: 5.8209 ± 0.0001 Å
• c: 8.0322 ± 0.0001 Å
• α: 90°
• β: 90.0106°
• γ: 90°
• Cell volume: 457.143 ± 0.011 ų
• Cell temperature: 296.36 ± 0.13 K
• Ambient diffraction temperature: 296.36 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: 0.0159
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0193
• Weighted residual factors for all reflections included in the refinement: 0.0194
• Goodness-of-fit parameter for significantly intense reflections: 1.32
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No