Information card for entry 4001838

Structure parameters

• Common name: Al-doped Lithium Silicide
• Formula: Al0.63 Li14.37 Si4
• Calculated formula: Al0.6333 Li14.3667 Si4
• Title of publication: Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4
• Authors of publication: Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F.
• Journal of publication: Chemistry of Materials
• Year of publication: 2013
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 4113
• a: 10.6172 ± 0.0004 Å
• b: 10.6172 ± 0.0004 Å
• c: 10.6172 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1196.82 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0065
• Residual factor for significantly intense reflections: 0.0063
• Weighted residual factors for significantly intense reflections: 0.0165
• Weighted residual factors for all reflections included in the refinement: 0.0165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No