Information card for entry 1517343

Structure parameters

• Formula: Al9.1 K8 Si36.9
• Calculated formula: Al7.644 K8 Si38.356
• Title of publication: Si-based Earth abundant clathrates for solar energy conversion
• Authors of publication: He, Yuping; Sui, Fan; Kauzlarich, Susan M.; Galli, Giulia
• Journal of publication: Energy & Environmental Science
• Year of publication: 2014
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 2598
• a: 10.4802 ± 0.0016 Å
• b: 10.4802 ± 0.0016 Å
• c: 10.4802 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1151.1 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0123
• Residual factor for significantly intense reflections: 0.0113
• Weighted residual factors for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.0322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1515383
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No