Information card for entry 4338680

Structure parameters

• Chemical name: calcium iron palladium arsenide
• Formula: As6 Ca3 Fe4.741 Pd4.259
• Calculated formula: As6 Ca3 Fe4.742 Pd4.258
• 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: 19.8555 ± 0.0033 Å
• b: 3.9461 ± 0.0005 Å
• c: 15.3433 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1202.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0658
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Goodness-of-fit parameter for all reflections included in the refinement: 0.76
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No