Information card for entry 4003883

Structure parameters

• Formula: Cl2 Li6 O4 Si
• Calculated formula: Cl2 Li6 O4 Si
• Title of publication: Li6SiO4Cl2: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking
• Authors of publication: Morscher, Alexandra; Dyer, Matthew S.; Duff, Benjamin B.; Han, Guopeng; Gamon, Jacinthe; Daniels, Luke M.; Dang, Yun; Surta, T. Wesley; Robertson, Craig M.; Blanc, Frédéric; Claridge, John B.; Rosseinsky, Matthew J.
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• Journal volume: 33
• Journal issue: 6
• Pages of publication: 2206 - 2217
• a: 10.5204 ± 0.0008 Å
• b: 6.0756 ± 0.0004 Å
• c: 9.953 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 636.17 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No