Information card for entry 4514310

Structure parameters

• Formula: Al16 Ba8 Si30
• Calculated formula: Al16.08 Ba8 Si29.92
• Title of publication: Anodes for Lithium-Ion Batteries Based on Type I Silicon Clathrate Ba8Al16Si30 - Role of Processing on Surface Properties and Electrochemical Behavior.
• Authors of publication: Zhao, Ran; Bobev, Svilen; Krishna, Lakshmi; Yang, Ting; Weller, J. Mark; Jing, Hangkun; Chan, Candace K.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 47
• Pages of publication: 41246 - 41257
• a: 10.5888 ± 0.0003 Å
• b: 10.5888 ± 0.0003 Å
• c: 10.5888 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1187.24 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No