Information card for entry 2109020

Structure parameters

• Common name: mimetite
• Formula: As4 Cl1.33 O16 Pb6.67
• Calculated formula: As4 Cl1.33333 O16 Pb6.66667
• 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: 20.4487 ± 0.0009 Å
• b: 7.4362 ± 0.0002 Å
• c: 20.4513 ± 0.0009 Å
• α: 90°
• β: 119.953 ± 0.006°
• γ: 90°
• Cell volume: 2694.5 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes