Information card for entry 4501132

Structure parameters

• Formula: K17.7 Si136
• Calculated formula: K17.776 Si136
• 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: 14.7264 ± 0.0006 Å
• b: 14.7264 ± 0.0006 Å
• c: 14.7264 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3193.7 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 2
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No