Information card for entry 7063254

Structure parameters

• Formula: Ag0.51 Ba Cu1.49 Se2
• Calculated formula: Ag0.511 Ba Cu1.489 Se2
• Title of publication: Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties
• Authors of publication: Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 9.823 ± 0.004 Å
• b: 4.2715 ± 0.0016 Å
• c: 10.975 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 460.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No