Information card for entry 1540502

Structure parameters

• Common name: Barium aluminium arsenide (3/1/3)
• Chemical name: Barium aluminium arsenide (3/1/3)
• Formula: Al As3 Ba3
• Calculated formula: Al As3 Ba3
• SMILES: [Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[As-]1[Al]([As-][Al]1([As-2])[As-2])([As-2])[As-2]
• Title of publication: Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As)
• Authors of publication: Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen
• Journal of publication: Crystals
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 433
• a: 19.854 ± 0.003 Å
• b: 6.8636 ± 0.0009 Å
• c: 13.2849 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1810.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.0358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No