Information card for entry 4343381

Structure parameters

• Formula: Ca Fe O S
• Calculated formula: Ca Fe O S
• Title of publication: Magnetodielectric Effect in Crystals of the Noncentrosymmetric CaOFeS at Low Temperature.
• Authors of publication: Delacotte, Charlène; Pérez, Olivier; Pautrat, Alain; Berthebaud, David; Hébert, Sylvie; Suard, Emmanuelle; Pelloquin, Denis; Maignan, Antoine
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6560 - 6565
• a: 3.7519 ± 0.0002 Å
• b: 3.7519 ± 0.0002 Å
• c: 11.349 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 138.354 ± 0.016 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for significantly intense reflections: 1.5
• Goodness-of-fit parameter for all reflections included in the refinement: 1.72
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No