Information card for entry 4519041

Structure parameters

• Formula: Ba8 Ga14.89 Sn31.11
• Calculated formula: Ba8 Ga14.892 Sn31.108
• Title of publication: Structural and Electrochemical Properties of Type VIII Ba₈Ga_16-δSn_30+δ Clathrate (δ ≈ 1) during Lithiation.
• Authors of publication: Dopilka, Andrew; Childs, Amanda; Ovchinnikov, Alexander; Zhao, Ran; Bobev, Svilen; Peng, Xihong; Chan, Candace K.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 36
• Pages of publication: 42564 - 42578
• a: 11.5887 ± 0.0009 Å
• b: 11.5887 ± 0.0009 Å
• c: 11.5887 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1556.3 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.0335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No