Information card for entry 4125188

Structure parameters

• Formula: Ca6 Fe0.52 Li0.48 N3 Te2
• Calculated formula: Ca6 Fe0.526 Li0.474 N3 Te2
• Title of publication: Metal nitrides grown from Ca/Li flux: Ca6Te3N2 and new nitridoferrate(I) Ca6(LixFe1-x)Te2N3.
• Authors of publication: Dickman, Matthew J.; Latturner, Susan E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• a: 8.718 ± 0.003 Å
• b: 8.718 ± 0.003 Å
• c: 6.719 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 510.7 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 84
• Hermann-Mauguin space group symbol: P 42/m
• Hall space group symbol: -P 4c
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No