Information card for entry 2204401

Structure parameters

• Common name: Barium indium nitride
• Formula: Ba19 In9 N9
• Calculated formula: Ba19 In9 N9
• SMILES: [N].[Ba].[N].[Ba].[In].[In].[In].[Ba].[N].[Ba].[N].[Ba].[Ba].[N].[In].[In].[Ba].[Ba].[N].[Ba].[Ba].[Ba].[Ba].[In].[In].[Ba].[N].[Ba].[Ba].[N].[Ba].[Ba].[Ba].[Ba].[In].[In].[N]
• Title of publication: Ba~19~In~9~N~9~, a subnitride containing isolated [In~5~]^5{-^} and [In~8~]^12{-^} Zintl anions
• Authors of publication: Yamane, Hisanori; Sasaki, Shinya; Kajiwara, Takashi; Takahiro Yamada; Shimada, Masahiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: i120 - i123
• a: 57.334 ± 0.006 Å
• b: 7.9101 ± 0.0008 Å
• c: 10.1991 ± 0.001 Å
• α: 90°
• β: 97.237 ± 0.002°
• γ: 90°
• Cell volume: 4588.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No