Information card for entry 7714855

Structure parameters

• Chemical name: B12 Pt24 Sc5
• Formula: B12 Pt24 Sc5
• Calculated formula: B12 Pt24 Sc5
• Title of publication: Cage compound Sc₅Pt₂₄B₁₂: a Pt-stuffed variant of filled skutterudite structure. Electronic and structural properties.
• Authors of publication: Salamakha, Leonid; Sologub, Oksana; Stöger, Berthold; Michor, Herwig; Bauer, Ernst; Rogl, Peter F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 233 - 244
• a: 10.2042 ± 0.0006 Å
• b: 10.2042 ± 0.0006 Å
• c: 10.2042 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1062.52 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections included in the refinement: 0.0273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No