Information card for entry 4002828

Structure parameters

• Common name: Potassium_Copper_Selenide
• Formula: Cu3 K Se2
• Calculated formula: Cu3 K Se2
• Title of publication: Copper Vacancies and Heavy Holes in the Two-Dimensional Semiconductor KCu3‒xSe2
• Authors of publication: Rettie, Alexander J. E.; Sturza, Mihai; Malliakas, Christos D.; Botana, Antia S.; Chung, Duck Young; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• a: 15.417 ± 0.003 Å
• b: 4.0742 ± 0.0008 Å
• c: 8.319 ± 0.0017 Å
• α: 90°
• β: 112.94 ± 0.03°
• γ: 90°
• Cell volume: 481.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No