Information card for entry 2023290

Structure parameters

• Formula: Mn13 Zn126.103
• Calculated formula: Mn13 Zn126.108
• Title of publication: Synthesis and structural study of the partially disordered complex hexagonal phase δ1-MnZn9.7
• Authors of publication: Mondal, Amit; Pan, Rahul; Kuila, Sandip Kumar; Dey, Riju; Jana, Partha Pratim
• Journal of publication: Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 6
• a: 12.9085 ± 0.0002 Å
• b: 12.9085 ± 0.0002 Å
• c: 57.6528 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8319.6 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 2
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for significantly intense reflections: 1.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes