Information card for entry 7063250

Structure parameters

• Formula: Ba Cu2 Se2
• Calculated formula: Ba Cu2 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: 9.607 ± 0.0004 Å
• b: 4.2145 ± 0.0002 Å
• c: 10.786 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 436.71 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.03
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No