Information card for entry 4003469

Structure parameters

• Formula: Pd15.52 Sc54.98
• Calculated formula: Pd15.516 Sc54.98
• Title of publication: New Quasicrystal Approximant in the Sc‒Pd System: From Topological Data Mining to the Bench
• Authors of publication: Solokha, Pavlo; Eremin, Roman A.; Leisegang, Tilmann; Proserpio, Davide M.; Akhmetshina, Tatiana; Gurskaya, Albina; Saccone, Adriana; De Negri, Serena
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 14.2722 ± 0.0007 Å
• b: 14.3714 ± 0.0007 Å
• c: 14.7878 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3033.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 2
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No