Information card for entry 2239564

Structure parameters

• Common name: Barium gallium oxynitride
• Chemical name: Tetrabarium gallium trinitride oxide
• Formula: Ba4 Ga N3 O
• Calculated formula: Ba4 Ga N3 O
• SMILES: [Ba+2].[Ba+2].[Ba+2].[O-2].[N-2][Ga]([N-2])[N-2].[Ba+2]
• Title of publication: Ba~4~GaN~3~O
• Authors of publication: Hashimoto, Takayuki; Yamane, Hisanori
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: i28
• a: 7.813 ± 0.0003 Å
• b: 25.6453 ± 0.001 Å
• c: 7.9162 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1586.14 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes