Information card for entry 1552530

Structure parameters

• Formula: Al3 Ca0.655 Pd2 Yb0.345
• Calculated formula: Al3 Ca0.655333 Pd2 Yb0.344667
• Title of publication: Temperature induced valence phase transition in intermediate-valent YbPd2Al3
• Authors of publication: Stegemann, Frank; Stahl, Juliane; Bartsch, Manfred; Zacharias, Helmut; Johrendt, Dirk; Janka, Oliver
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 9.333 ± 0.0008 Å
• b: 9.333 ± 0.0008 Å
• c: 4.2276 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 318.91 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.0141
• Residual factor for significantly intense reflections: 0.0097
• Weighted residual factors for significantly intense reflections: 0.0231
• Weighted residual factors for all reflections included in the refinement: 0.0247
• Goodness-of-fit parameter for significantly intense reflections: 0.93
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No