Information card for entry 4107788

Structure parameters

• Common name: CaLi2(DN)2
• Formula: Ca D2 Li2 N2
• Calculated formula: Ca D2.04 Li1.72 N2
• Title of publication: Structure of Ternary Imide Li2Ca(NH)2 and Hydrogen Storage Mechanisms in Amide-Hydride System
• Authors of publication: Hui Wu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6515 - 6522
• a: 3.56787 ± 0.00007 Å
• b: 3.56787 Å
• c: 5.94851 ± 0.00023 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 65.578 ± 0.003 ų
• Cell temperature: 15 K
• Number of distinct elements: 4
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• RFsqd: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.5403 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No