Information card for entry 4001784

Structure parameters

• Formula: H28 Li4 O14 Se6 Sn2
• Calculated formula: H28 Li4 O14 Se6 Sn2
• SMILES: [Li]([OH2])([OH2])([OH2])[OH2][Li]([OH2])([OH2])[OH2].[Se]1[Sn]([Se-])([Se-])[Se][Sn]1([Se-])[Se-].[Li]([OH2])([OH2])([OH2])[OH2][Li]([OH2])([OH2])[OH2]
• 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: 7.2602 ± 0.0015 Å
• b: 9.5887 ± 0.0019 Å
• c: 10.496 ± 0.002 Å
• α: 77.46 ± 0.03°
• β: 71.1 ± 0.03°
• γ: 74 ± 0.03°
• Cell volume: 657.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No