Information card for entry 4002884

Structure parameters

• Formula: Cs Cu5 Se3
• Calculated formula: Cs Cu5 Se3
• Title of publication: CsCu5Se3: A Copper-Rich Ternary Chalcogenide Semiconductor with Nearly Direct Band Gap for Photovoltaic Application
• Authors of publication: Xia, Zhiguo; Fang, Huajing; Zhang, Xiuwen; Molokeev, Maxim S.; Gautier, Romain; Yan, Qingfeng; Wei, Su-Huai; Poeppelmeier, Kenneth R.
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 1121
• a: 9.99085 ± 0.0003 Å
• b: 4.09781 ± 0.00011 Å
• c: 9.00711 ± 0.00027 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 368.757 ± 0.019 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• Space group number: 51
• Hermann-Mauguin space group symbol: P m m a
• Hall space group symbol: -P 2a 2a
• Residual factor R(I) for significantly intense reflections: 0.57
• Goodness-of-fit parameter for all reflections: 1.474
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~~2~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No