Information card for entry 4341479

Structure parameters

• Formula: As2 Ca3 H Li
• Calculated formula: As2 Ca3 H Li
• SMILES: [As-3].[Ca+2].[Ca+2].[As-3].[Li+].[Ca+2].[H-]
• Title of publication: LiCa3As2H and Ca14As6X7 (X = C, H, N): Two New Arsenide Hydride Phases Grown from Ca/Li Metal Flux.
• Authors of publication: Blankenship, Trevor V.; Wang, Xiaoping; Hoffmann, Christina; Latturner, Susan E.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10620 - 10626
• a: 11.4064 ± 0.0007 Å
• b: 4.2702 ± 0.0003 Å
• c: 11.8762 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 578.46 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0145
• Residual factor for significantly intense reflections: 0.0135
• Weighted residual factors for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No