Information card for entry 4000893

Structure parameters

• Common name: CaCr0.84Fe3.16As3
• Formula: As3 Ca Cr0.84 Fe3.16
• Calculated formula: As3 Ca Cr0.844 Fe3.156
• Title of publication: Selective Substitution of Cr in CaFe4As3and Its Effect on the Spin Density Wave
• Authors of publication: Todorov, Iliya; Chung, Duck Young; Claus, Helmut; Gray, Kenneth E.; Li, Qing’an; Schleuter, John; Bakas, Thomas; Douvalis, Alexios P.; Gutmann, Matthias; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 17
• Pages of publication: 4996
• a: 12.022 ± 0.004 Å
• b: 3.7211 ± 0.0015 Å
• c: 11.652 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 521.3 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0803
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: neutron
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No