Information card for entry 7716478

Structure parameters

• Formula: Cs Hg2 I5
• Calculated formula: Cs Hg1.997 I5
• Title of publication: <i>β</i>-CsHg₂I₅, a compound with rare [Hg₂I₅] dimers and large optical anisotropy.
• Authors of publication: Kong, Yingying; Wang, Hongshan; Zhao, Wang; Sun, Qi; Li, Junjie; Pan, Shilie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 29
• Pages of publication: 12090 - 12097
• a: 14.0019 ± 0.0016 Å
• b: 11.4545 ± 0.0014 Å
• c: 19.067 ± 0.003 Å
• α: 90°
• β: 117.911 ± 0.004°
• γ: 90°
• Cell volume: 2702.3 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No