Information card for entry 4002147

Structure parameters

• Formula: Al Ca2 Pt2
• Calculated formula: Al Ca2 Pt2
• Title of publication: Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability
• Authors of publication: Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 304
• a: 9.804 ± 0.0008 Å
• b: 5.7411 ± 0.0005 Å
• c: 7.7307 ± 0.0007 Å
• α: 90°
• β: 101.889 ± 0.007°
• γ: 90°
• Cell volume: 425.79 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No