Information card for entry 4120178

Structure parameters

• Formula: Au6.97 Ba2 In2.03
• Calculated formula: Au6.969 Ba2 In2.031
• Title of publication: Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)
• Authors of publication: Qisheng Lin; Trinath Mishra; John D. Corbett
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 11023 - 11031
• a: 8.8478 ± 0.0008 Å
• b: 8.8478 ± 0.0008 Å
• c: 22.487 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1524.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No