Information card for entry 4125187

Structure parameters

• Formula: Ca6 N2 Te3
• Calculated formula: Ca6 N2 Te3
• SMILES: [N-3].[Ca+2].[N-3].[Te-2].[Ca+2].[Te-2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Te-2]
• 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: 12 ± 0.003 Å
• b: 12 ± 0.003 Å
• c: 13.147 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1639.5 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.012
• Residual factor for significantly intense reflections: 0.0111
• Weighted residual factors for significantly intense reflections: 0.0246
• Weighted residual factors for all reflections included in the refinement: 0.0249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No