Information card for entry 1504402

Structure parameters

• Formula: B H4 Li
• Calculated formula: B H4 Li
• SMILES: [BH4-].[Li+]
• Title of publication: Lightest Borohydride Probed by Synchrotron X-ray Diffraction: Experiment Calls for a New Theoretical Revision
• Authors of publication: Filinchuk, Yaroslav; Chernyshov, Dmitry; Cerny, Radovan
• Journal of publication: Journal of Physical Chemistry C
• Year of publication: 2008
• Journal volume: 112
• Journal issue: 28
• Pages of publication: 10579
• a: 7.141 ± 0.005 Å
• b: 4.431 ± 0.003 Å
• c: 6.748 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 213.5 ± 0.2 ų
• Cell temperature: 225 ± 1 K
• Ambient diffraction temperature: 225 ± 1 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No