Information card for entry 2109023

Structure parameters

• Mineral name: mimetite
• Formula: As2 Cl0.67 O8 Pb3.33
• Calculated formula: As2 Cl0.666667 O8 Pb3.33333
• 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: 10.2552 ± 0.0003 Å
• b: 20.4913 ± 0.0006 Å
• c: 7.4576 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 119.993 ± 0.002°
• Cell volume: 1357.29 ± 0.07 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: 0.0426
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes