Information card for entry 7717678

Structure parameters

• Formula: Cu3.99 Se9 Sr3 Zr2
• Calculated formula: Cu3.986 Se9 Sr3 Zr2
• Title of publication: Sr₃Zr₂Cu₄<i>Q</i>₉ (<i>Q</i> = S and Se): two novel layered quaternary mixed transition metal chalcogenides.
• Authors of publication: Barman, Sayani; Yadav, Sweta; Ray, Akshay K.; Swati, ?; Deepa, M.; Niranjan, Manish K.; Prakash, Jai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 6.9779 ± 0.0014 Å
• b: 10.685 ± 0.002 Å
• c: 12.302 ± 0.003 Å
• α: 109.18 ± 0.03°
• β: 105.38 ± 0.03°
• γ: 96.56 ± 0.03°
• Cell volume: 814.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No