Information card for entry 4501133

Structure parameters

• Formula: K7.46 Si46
• Calculated formula: K7.464 Si46
• Title of publication: Synthesis and Structural Characterization of Single-Crystal K7.5Si46and K17.8Si136Clathrates
• Authors of publication: Stefanoski, Stevce; Nolas, George S.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 4533
• a: 10.2639 ± 0.0003 Å
• b: 10.2639 ± 0.0003 Å
• c: 10.2639 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1081.28 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 2
• 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: 0.0131
• Residual factor for significantly intense reflections: 0.0129
• Weighted residual factors for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections included in the refinement: 0.0338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No