Information card for entry 4003468

Structure parameters

• Formula: Pd15.54 Sc54.4
• Calculated formula: Pd15.54 Sc55.4
• 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: 14.252 ± 0.003 Å
• b: 14.372 ± 0.003 Å
• c: 14.776 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3026.6 ± 1.1 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: 0.0672
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No