Information card for entry 4331796

Structure parameters

• Formula: Al3 As5 Ba3
• Calculated formula: Al3 As5 Ba3
• Title of publication: Synthesis, Crystal and Electronic Structures of the New Zintl phases Ba3Al3Pn5 (Pn= P, As) and Ba3Ga3P5
• Authors of publication: Hua He; Chauntae Tyson; Maia Saito; Svilen Bobev
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 499 - 505
• a: 14.9727 ± 0.0013 Å
• b: 14.9727 ± 0.0013 Å
• c: 29.689 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5764 ± 1.1 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: 0.0292
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No