Information card for entry 4003481

Structure parameters

• Formula: C H6 B11 Cl6 Na
• Calculated formula: C H6 B11 Cl6 Na
• Title of publication: Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions
• Authors of publication: Jørgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Černý, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 12.2381 ± 0.0019 Å
• b: 12.0569 ± 0.0016 Å
• c: 22.007 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3247.2 ± 0.8 ų
• Cell temperature: 423 K
• Ambient diffraction temperature: 423 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor R(I) for significantly intense reflections: 4.0826
• Method of determination: powder diffraction
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No