Information card for entry 4321679

Structure parameters

• Common name: gamma-Tricalcium nitrido dialuminate
• Formula: Al2 Ca3 N4
• Calculated formula: Al4 Ca6 N8
• 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: 10.606 ± 0.002 Å
• b: 8.26 ± 0.002 Å
• c: 5.517 ± 0.001 Å
• α: 90°
• β: 92.1 ± 0.1°
• γ: 90°
• Cell volume: 483 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.279
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No