Information card for entry 4345081

Structure parameters

• Formula: Al1.54 Au2.46 Na2
• Calculated formula: Al1.54 Au2.46 Na2
• Title of publication: Network Formation by Condensed Tetrahedral [Au3Al] Units in Na2Au3Al: Crystal and Electronic Structure, Spectroscopic Investigations, and Physical Properties of an Ordered Ternary Auride.
• Authors of publication: Stegemann, Frank; Benndorf, Christopher; Zhang, Yuemei; Bartsch, Manfred; Zacharias, Helmut; Fokwa, Boniface P. T.; Eckert, Hellmut; Janka, Oliver
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 1919 - 1931
• a: 7.7133 ± 0.0003 Å
• b: 7.7133 ± 0.0003 Å
• c: 7.7133 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 458.9 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 213
• Hermann-Mauguin space group symbol: P 41 3 2
• Hall space group symbol: P 4bd 2ab 3
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for significantly intense reflections: 1.94
• Goodness-of-fit parameter for all reflections included in the refinement: 1.92
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No