Information card for entry 4002196

Structure parameters

• Formula: Ga8.3 K8 Si37.3
• Calculated formula: Ga8.42 K8 Si37.58
• Title of publication: Synthesis, Structure, Thermoelectric Properties, and Band Gaps of Alkali Metal Containing Type I Clathrates: A8Ga8Si38(A = K, Rb, Cs) and K8Al8Si38
• Authors of publication: Sui, Fan; He, Hua; Bobev, Svilen; Zhao, Jing; Osterloh, Frank E.; Kauzlarich, Susan M.
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 2812
• a: 10.427 ± 0.0003 Å
• b: 10.427 ± 0.0003 Å
• c: 10.427 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1133.65 ± 0.06 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: 0.0203
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No