Information card for entry 2200084

Structure parameters

• Formula: Ca2 N
• Calculated formula: Ca2 N
• SMILES: [Ca].[Ca].[N]
• Title of publication: Calcium nitride (Ca~2~N), a redetermination
• Authors of publication: Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: i6 - i7
• a: 3.6271 ± 0.0003 Å
• b: 3.6271 ± 0.0003 Å
• c: 18.972 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 216.15 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 2
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes