Information card for entry 2109022

Structure parameters

• Common name: mimetite
• Formula: As3 Cl O12 Pb5
• Calculated formula: As3 Cl O12 Pb5
• Title of publication: Role of lone-pair electron localization in temperature-induced phase transitions in mimetite
• Authors of publication: Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 4
• a: 10.2398 ± 0.0004 Å
• b: 20.4774 ± 0.0009 Å
• c: 7.4554 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 119.981 ± 0.006°
• Cell volume: 1354.1 ± 0.13 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 1 21/b
• Hall space group symbol: -P 2bc
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes