Information card for entry 1518834

Structure parameters

• Formula: B10 D10 Li2
• Calculated formula: B10 D10 Li2
• SMILES: [B]123([B]456([B]781([B]19%10([B]%11%12([B]489([B]46%11([B]635([B]271([B]%10%1246[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H].[Li+].[Li+]
• Title of publication: Structural Behavior of Li2B10H10
• Authors of publication: Wu, Hui; Tang, Wan Si; Stavila, Vitalie; Zhou, Wei; Rush, John J.; Udovic, Terrence J.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2015
• Pages of publication: 150312100216002
• a: 7.01187 ± 0.00014 Å
• b: 7.01187 Å
• c: 14.8008 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 630.21 ± 0.02 ų
• Cell temperature: 7 K
• Ambient diffraction temperature: 7 K
• Number of distinct elements: 3
• Space group number: 181
• Hermann-Mauguin space group symbol: P 64 2 2
• Hall space group symbol: P 64 2 (0 0 2)
• RFsqd: 0.03857
• Goodness-of-fit parameter for all reflections: 1.06
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.5398 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No