Information card for entry 4341481

Structure parameters

• Formula: C0.445 H4.915 As6 Ca14 N1.135
• Calculated formula: C0.445 H4.915 As6 Ca14 N1.135
• 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: 15.7027 ± 0.0002 Å
• b: 15.7027 ± 0.0002 Å
• c: 9.1043 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2244.89 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 127
• Hermann-Mauguin space group symbol: P 4/m b m
• Hall space group symbol: -P 4 2ab
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No