Information card for entry 4104229

Structure parameters

• Formula: As3 Ca Fe4
• Calculated formula: As3 Ca Fe4
• Title of publication: CaFe4As3: A Metallic Iron Arsenide with Anisotropic Magnetic and Charge-Transport Properties
• Authors of publication: Iliya Todorov; Duck Young Chung; Christos D. Malliakas; Quing'an Li; Thomas Bakas; Alexios Douvalis; Giancarlo Trimarchi; Kenneth Gray; John F. Mitchell; Arthur J. Freeman; Mercouri G. Kanatzidis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 5405 - 5407
• a: 11.8649 ± 0.0006 Å
• b: 3.7309 ± 0.0002 Å
• c: 11.5611 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 511.77 ± 0.05 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 3
• 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: 0.052
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No