Information card for entry 1577454

Structure parameters

• Formula: Cl0.113 I0.887 Li7 S7 Si2
• Calculated formula: Cl0.1127 I0.8873 Li6.994 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: 9.0428 ± 0.0006 Å
• b: 6.039 ± 0.0004 Å
• c: 12.0347 ± 0.0006 Å
• α: 89.794 ± 0.004°
• β: 90.905 ± 0.005°
• γ: 90.48 ± 0.005°
• Cell volume: 657.1 ± 0.07 ų
• Cell temperature: 300 ± 0.1 K
• Ambient diffraction temperature: 300 ± 0.1 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: 0.0355
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No