Information card for entry 4001783

Structure parameters

• Formula: Li4 O13 Se4 Sn
• Calculated formula: Li4 O13 Se4 Sn
• SMILES: [Sn]([Se-])([Se-])([Se-])[Se-].[Li]([OH2])([OH2])([OH2])[OH2].[Li]1([OH2])([OH2])[OH2][Li]([OH2])([OH2])[OH2][Li]([OH2])([OH2])[OH2]1
• 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: 12.84 ± 0.003 Å
• b: 12.93 ± 0.003 Å
• c: 13.274 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2203.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.331
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No