Information card for entry 4316405

Structure parameters

• Formula: As2 Ba Ga2
• Calculated formula: As2 Ba Ga2
• Title of publication: BaGa2Pn2 (Pn= P, As): New Semiconducting Phosphides and Arsenides with Layered Structures
• Authors of publication: Hua He; Ryan Stearrett; Edmund R. Nowak; Svilen Bobev
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7935 - 7940
• a: 7.495 ± 0.005 Å
• b: 9.901 ± 0.006 Å
• c: 7.643 ± 0.005 Å
• α: 90°
• β: 115.381 ± 0.008°
• γ: 90°
• Cell volume: 512.4 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0309
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0421
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No