Information card for entry 4321678

Structure parameters

• Common name: beta-Tricalcium nitrido dialuminate
• Formula: Al2 Ca3 N4
• Calculated formula: Al2 Ca3 N4
• Title of publication: Crystal Structures of Two Polymorphs of Ca3[Al2N4]
• Authors of publication: M. Ludwig; J. Jäger; R. Niewa; R. Kniep
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5909 - 5911
• a: 5.826 ± 0.003 Å
• b: 10.691 ± 0.004 Å
• c: 15.854 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 987.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No