Information card for entry 7700956

Structure parameters

• Formula: Al53 Ba6 Pt21.96
• Calculated formula: Al53 Ba6 Pt21.964
• Title of publication: Unusually strong heteroatomic bonding in the complex polyanion of intermetallic Ba₆Pt₂₂Al₅₃.
• Authors of publication: Stegemann, Frank; Touzani, Rachid Stefan; Janka, Oliver
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 14103 - 14114
• a: 14.249 ± 0.0002 Å
• b: 14.249 ± 0.0002 Å
• c: 16.1127 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2833.14 ± 0.08 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 193
• Hermann-Mauguin space group symbol: P 63/m c m
• Hall space group symbol: -P 6c 2
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for significantly intense reflections: 1.93
• Goodness-of-fit parameter for all reflections included in the refinement: 1.73
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No