Information card for entry 7718975

Structure parameters

• Chemical name: ClCs9Se20Si8
• Formula: Cl Cs9 Se20 Si8
• Calculated formula: Cl Cs9 Se20 Si8
• Title of publication: A wide band gap selenohalide Cs₉Si₈Se₂₀Cl with unprecedented [CsSe₇Cl] mixed anionic units.
• Authors of publication: Zheng, Guansong; Zhao, Wang; Wu, Xiaoyu; Wang, Hongshan; Du, Yinxia; Lu, Juanjuan; Zhou, Xiao-Dong; Li, Junjie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 30
• Pages of publication: 11601 - 11606
• a: 10.6055 ± 0.0005 Å
• b: 10.6055 ± 0.0005 Å
• c: 13.8678 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1350.83 ± 0.13 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No