Information card for entry 7110560

Structure parameters

• Formula: Li5 N3 Ni3
• Calculated formula: Li5 N3.96 Ni3
• Title of publication: Novel layered lithium nitridonickelates; effect of Li vacancy concentration on N co-ordination geometry and Ni oxidation state
• Authors of publication: Barker, Marten G.; Blake, Alexander J.; Gregory, Duncan H.; Siddons, Daniel J.; Smith, Susan E.; Edwards, Peter P.; Hamor, Thomas A.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 13
• Pages of publication: 1187
• a: 6.475 ± 0.003 Å
• b: 6.475 ± 0.003 Å
• c: 3.555 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 129.08 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 189
• Hermann-Mauguin space group symbol: P -6 2 m
• Hall space group symbol: P -6 -2
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.0884
• Goodness-of-fit parameter for all reflections: 1.229
• Goodness-of-fit parameter for significantly intense reflections: 1.229
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No