Information card for entry 7720972

Structure parameters

• Chemical name: CdSeOBr
• Formula: Br2 Cd5 O12 Se4
• Calculated formula: Br2 Cd5 O12 Se4
• Title of publication: Te-Se replacement induced structural transition and enhanced band gaps in Cd₅Se₄O₁₂Cl₂ and Cd₅Se₄O₁₂Br₂.
• Authors of publication: Iqbal, Maqsood; Zhou, Jiazheng; Munawar, Aqsa; Lu, Juanjuan; Li, Junjie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 16
• Pages of publication: 6415 - 6422
• a: 19.248 ± 0.004 Å
• b: 5.3284 ± 0.0012 Å
• c: 16.565 ± 0.004 Å
• α: 90°
• β: 105.066 ± 0.007°
• γ: 90°
• Cell volume: 1640.5 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No