Information card for entry 2109021

Structure parameters

• Common name: mimetite
• Formula: As4 Cl1.33 O16 Pb6.67
• Calculated formula: As4 Cl1.33333 O16.1067 Pb6.65733
• 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: 10.2378 ± 0.0003 Å
• b: 20.4573 ± 0.0007 Å
• c: 7.4457 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120.039 ± 0.005°
• Cell volume: 1349.96 ± 0.1 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes