Information card for entry 4003480

Structure parameters

• Formula: C H6 B11 Br6 Li
• Calculated formula: C H6 B11 Br6 Li
• SMILES: [BH]1234[BH]567[B]891([B]1%102([B]2%119([B]968([BH]685[CH]537[BH]341[BH]165[B]%1023([B]%11981Br)Br)Br)Br)Br)Br.[Li+]
• 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: 11.7409 ± 0.0005 Å
• b: 11.0295 ± 0.0004 Å
• c: 12.9724 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1679.88 ± 0.11 ų
• Cell temperature: 473 K
• Ambient diffraction temperature: 473 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor R(I) for significantly intense reflections: 4.12
• Method of determination: powder diffraction
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No