Information card for entry 4349605

Structure parameters

• Common name: CuSnSe
• Formula: Cu32 Se76 Sn24
• Calculated formula: Cu32 Se76 Sn24
• Title of publication: PCU-type copper-rich open-framework chalcogenides: pushing up the length limit of the connection mode and the first mixed-metal [Cu7GeSe13] cluster
• Authors of publication: Luo, Min; Hu, Dandan; Yang, Huajun; Li, Dongsheng; Wu, Tao
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 387
• a: 24.0523 ± 0.0005 Å
• b: 24.0523 ± 0.0005 Å
• c: 24.0523 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13914.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No