Information card for entry 4001781

Structure parameters

• Formula: Li4 Se4 Sn
• Calculated formula: Li4 Se4 Sn
• SMILES: [Li+].[Li+].[Li+].[Se-][Sn]([Se-])([Se-])[Se-].[Li+]
• Title of publication: Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds
• Authors of publication: Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie
• Journal of publication: Chemistry of Materials
• Year of publication: 2013
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 2961
• a: 14.931 ± 0.003 Å
• b: 8.2217 ± 0.0016 Å
• c: 6.5989 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 810.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No