Information card for entry 4128979

Structure parameters

• Common name: copper iodide triselenide
• Formula: Cu2 I2 Se6
• Calculated formula: Cu1.99933 I2 Se6
• Title of publication: Pressure-Induced Superconductivity and Flattened Se₆ Rings in the Wide Band Gap Semiconductor Cu₂I₂Se₆.
• Authors of publication: Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 38
• Pages of publication: 15174 - 15182
• a: 12.9856 ± 0.0003 Å
• b: 12.9856 ± 0.0003 Å
• c: 12.4479 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1817.82 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 14400000 kPa
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.4325 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No