Information card for entry 4321677

Structure parameters

• Common name: alpha-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: 9.572 ± 0.003 Å
• b: 5.802 ± 0.003 Å
• c: 9.563 ± 0.005 Å
• α: 90°
• β: 111.62 ± 0.03°
• γ: 90°
• Cell volume: 493.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.418
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No