Information card for entry 4004110

Structure parameters

• Formula: Cl1.96 Li5.51 O3.93 Si
• Calculated formula: Cl1.956 Li5.511 O3.934 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: 6.110777 ± 0.000011 Å
• b: 6.110777 ± 0.000011 Å
• c: 10.02065 ± 0.00002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 324.056 ± 0.001 ų
• Cell temperature: 548.15 K
• Ambient diffraction temperature: 548.15 K
• Number of distinct elements: 4
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 1.92234
• Goodness-of-fit parameter for all reflections: 23.3638
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.8266 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No