Information card for entry 7119576

Structure parameters

• Formula: Ba5 Cu8 In2 S12
• Calculated formula: Ba5 Cu8 In2 S12
• Title of publication: Ba5Cu8In2S12: a quaternary semiconductor with a unique 3D copper-rich framework and ultralow thermal conductivity.
• Authors of publication: Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Chen, Yu-Kun; Yu, Ju-Song; Wu, Li-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 2590 - 2593
• a: 14.584 ± 0.015 Å
• b: 16.369 ± 0.017 Å
• c: 10.509 ± 0.012 Å
• α: 90°
• β: 100.14 ± 0.02°
• γ: 90°
• Cell volume: 2470 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No