Information card for entry 7710286

Structure parameters

• Formula: Ba5 Fe2 In4 S15 Zn
• Calculated formula: Ba5 Fe2 In4 S15 Zn
• Title of publication: Preparation, characterization and DFT+U study of the polar Fe³⁺-based phase Ba₅Fe₂ZnIn₄S₁₅ containing <i>S</i> = 5/2 zigzag chains.
• Authors of publication: Almoussawi, Batoul; Duffort, Victor; Arevalo-Lopez, Angel M; Braun, Maxime; Djelal, Nora; Kabbour, Houria
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 24
• Pages of publication: 9522 - 9530
• a: 23.458 ± 0.0019 Å
• b: 18.551 ± 0.006 Å
• c: 6.464 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2813 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0386
• Goodness-of-fit parameter for significantly intense reflections: 1.47
• Goodness-of-fit parameter for all reflections included in the refinement: 1.42
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No