Information card for entry 4003614

Structure parameters

• Formula: Br3 Cu K2
• Calculated formula: Br3 Cu K2
• Title of publication: K2CuX3 (X = Cl, Br): All-Inorganic Lead-Free Blue Emitters with Near-Unity Photoluminescence Quantum Yield
• Authors of publication: Creason, Tielyr D.; McWhorter, Timothy M.; Bell, Zane; Du, Mao-Hua; Saparov, Bayrammurad
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 12.5112 ± 0.001 Å
• b: 4.2939 ± 0.0003 Å
• c: 13.1645 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 707.22 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No