Information card for entry 4341903

Structure parameters

• Formula: Au4.51 Ba1.04 Ga2.37
• Calculated formula: Au4.505 Ba1.03867 Ga2.375
• Title of publication: Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems.
• Authors of publication: Smetana, Volodymyr; Steinberg, Simon; Card, Nathan; Mudring, Anja-Verena; Miller, Gordon J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 1010 - 1018
• a: 8.7892 ± 0.0004 Å
• b: 8.7892 ± 0.0004 Å
• c: 7.2124 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 482.51 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 189
• Hermann-Mauguin space group symbol: P -6 2 m
• Hall space group symbol: P -6 -2
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No