Information card for entry 1577453

Structure parameters

• Formula: Cl0.12 I0.88 Li7 S7 Si2
• Calculated formula: Cl0.1186 I0.8814 Li7.001 S7 Si2
• Title of publication: Superionic Lithium Mobility in Low Symmetry Li7Si2S7I Polymorph Accessed via Si2S7 Dimer Reorientation
• Authors of publication: Han, Guopeng; Collins, Christopher M.; Sonni, Manel; Daniels, Luke M.; Vasylenko, Andrij; Chen, Ruiyong; Robertson, Craig; Dyer, Matthew Stephen; Claridge, John B.; Rosseinsky, Matthew J.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 9.0486 ± 0.0005 Å
• b: 6.0273 ± 0.0003 Å
• c: 11.9663 ± 0.0006 Å
• α: 90.135 ± 0.004°
• β: 90.937 ± 0.004°
• γ: 90.498 ± 0.004°
• Cell volume: 652.51 ± 0.06 ų
• Cell temperature: 241 ± 3 K
• Ambient diffraction temperature: 241 ± 3 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: 0.0324
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No