Information card for entry 4337480

Structure parameters

• Formula: Ba3 Se9 Ta2
• Calculated formula: Ba3 Se9 Ta2
• Title of publication: Ba3TM2Se9 (TM = Nb, Ta): synthesis and characterization of new polyselenides.
• Authors of publication: Chung, Ming-Yan; Lee, Chi-Shen
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 80 - 84
• a: 7.3579 ± 0.0008 Å
• b: 12.3741 ± 0.0014 Å
• c: 17.593 ± 0.002 Å
• α: 90°
• β: 97.359 ± 0.002°
• γ: 90°
• Cell volume: 1588.6 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No