Information card for entry 4001854

Structure parameters

• Common name: Lithium Silicide
• Formula: Li4.106 Si
• Calculated formula: Li4.10625 Si
• Title of publication: Revision of the Li‒Si Phase Diagram: Discovery and Single-Crystal X-ray Structure Determination of the High-Temperature Phase Li4.11Si
• Authors of publication: Zeilinger, Michael; Kurylyshyn, Iryna M.; Häussermann, Ulrich; Fässler, Thomas F.
• Journal of publication: Chemistry of Materials
• Year of publication: 2013
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 4623
• a: 4.5246 ± 0.0002 Å
• b: 21.9437 ± 0.001 Å
• c: 13.2001 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1310.59 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0171
• Residual factor for significantly intense reflections: 0.012
• Weighted residual factors for significantly intense reflections: 0.0274
• Weighted residual factors for all reflections included in the refinement: 0.0294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No