Information card for entry 1567378

Structure parameters

• Chemical name: Henhexacontacopper dotriacontasulfur
• Formula: Cu61.39 S32
• Calculated formula: Cu61.385 S32
• Title of publication: Natural djurleite with refined composition Cu61.39S32 revealing disorder of some Cu sites
• Authors of publication: Zhou, Yawei; Fan, Changzeng; Wen, Bin; Zhang, Lifeng
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 7
• a: 26.85 ± 0.001 Å
• b: 15.6862 ± 0.0006 Å
• c: 13.5175 ± 0.0006 Å
• α: 90°
• β: 90.062 ± 0.002°
• γ: 90°
• Cell volume: 5693.2 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes