Information card for entry 4001824

Structure parameters

• Formula: Cu2.77 K8 Sn43.23
• Calculated formula: Cu2.772 K8 Sn43.228
• Title of publication: Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure
• Authors of publication: Schäfer, Marion C.; Bobev, Svilen
• Journal of publication: Chemistry of Materials
• Year of publication: 2013
• Journal volume: 25
• Journal issue: 18
• Pages of publication: 3737
• a: 12.0769 ± 0.0003 Å
• b: 12.0769 ± 0.0003 Å
• c: 12.0769 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1761.43 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.0171
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No