Information card for entry 4515294

Structure parameters

• Formula: Al13.9 Ba8 Ge32.1
• Calculated formula: Al13.908 Ba8 Ge32.092
• Title of publication: Experimental and Computational Study of the Lithiation of Ba₈Al _yGe_{46- y} Based Type I Germanium Clathrates.
• Authors of publication: Dopilka, Andrew; Zhao, Ran; Weller, J. Mark; Bobev, Svilen; Peng, Xihong; Chan, Candace K.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 44
• Pages of publication: 37981 - 37993
• a: 10.8385 ± 0.0017 Å
• b: 10.8385 ± 0.0017 Å
• c: 10.8385 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1273.2 ± 0.3 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: 0.0495
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No