Information card for entry 4338678

Structure parameters

• Common name: 153
• Chemical name: calcium iron arsenide
• Formula: As3 Ca Fe5
• Calculated formula: As3 Ca Fe5
• Title of publication: Framework structures of interconnected layers in calcium iron arsenides.
• Authors of publication: Stürzer, Tobias; Hieke, Christine; Löhnert, Catrin; Nitsche, Fabian; Stahl, Juliane; Maak, Christian; Pobel, Roman; Johrendt, Dirk
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 6235 - 6240
• a: 7.2734 ± 0.0006 Å
• b: 3.8149 ± 0.0003 Å
• c: 9.7577 ± 0.0008 Å
• α: 90°
• β: 100.704 ± 0.0015°
• γ: 90°
• Cell volume: 266.04 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for significantly intense reflections: 2.54
• Goodness-of-fit parameter for all reflections included in the refinement: 2.65
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No