Information card for entry 4338683

Structure parameters

• Chemical name: calcium iron palladium arsenide
• Formula: As10 Ca6 Fe7.879 Pd6.121
• Calculated formula: As10 Ca6 Fe7.921 Pd6.079
• 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: 15.564 ± 0.003 Å
• b: 3.9679 ± 0.0006 Å
• c: 17.88 ± 0.003 Å
• α: 90°
• β: 108.748 ± 0.005°
• γ: 90°
• Cell volume: 1045.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1247
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for significantly intense reflections: 2.7
• Goodness-of-fit parameter for all reflections included in the refinement: 2.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No