Information card for entry 4338679

Structure parameters

• Chemical name: calcium iron palladium arsenide
• Formula: As6 Ca3 Fe7.038 Pd1.962
• Calculated formula: As6 Ca3 Fe7.038 Pd1.962
• 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: 26.3627 ± 0.0035 Å
• b: 3.8699 ± 0.0005 Å
• c: 11.3299 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1155.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0678
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for significantly intense reflections: 2.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1.69
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No