Information card for entry 2009230

Structure parameters

• Formula: As3 Ba3 O Ta
• Calculated formula: As3 Ba3 O Ta
• SMILES: [Ta](=O)([As-2])([As-2])[As-2].[Ba+2].[Ba+2].[Ba+2]
• Title of publication: Ba~3~TaAs~3~O displaying the distorted tetrahedral TaAs~3~O^6-^ anion
• Authors of publication: Derrien, Gaëlle; Monconduit, Laure; Tillard, Monique; Belin, Claude
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 1976 - 1978
• a: 6.722 ± 0.002 Å
• b: 11.088 ± 0.002 Å
• c: 13.475 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1004.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.13
• 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