Information card for entry 4004109

Structure parameters

• Formula: Cl1.97 Li5.59 O3.97 Si
• Calculated formula: Cl1.9676 Li5.585 O3.9694 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: 10.54315 ± 0.000005 Å
• b: 6.076855 ± 0.000003 Å
• c: 9.960249 ± 0.000005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 638.145 ± 0.0005 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 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: 2.95056
• Goodness-of-fit parameter for all reflections: 6.30914
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes