Information card for entry 4001836

Structure parameters

• Common name: Lithium Silicide
• Formula: Li15 Si4
• Calculated formula: Li15 Si4
• SMILES: [Si-4].[Li+].[Li+].[Si-4].[Li+].[Li+].[Li+].[Li+].[Si-4].[Li+].[Li+].[Si-4].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+]
• 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: 10.6322 ± 0.0009 Å
• b: 10.6322 ± 0.0009 Å
• c: 10.6322 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1201.9 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• 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: 0.0103
• Residual factor for significantly intense reflections: 0.0103
• Weighted residual factors for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections included in the refinement: 0.0299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No