Information card for entry 1573678

Structure parameters

• Formula: Cu10 S13 Te4
• Calculated formula: Cu10.002 S13 Te4
• Title of publication: Exploring new horizons in mid-to-far infrared nonlinear optical crystals: the significant potential of trigonal pyramidal [TeS₃]^2- functional units.
• Authors of publication: Zhang, Bo; Zhou, Sheng-Hua; Li, Bing-Xuan; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 7
• Pages of publication: 3218 - 3227
• a: 10.2609 ± 0.0001 Å
• b: 10.2609 ± 0.0001 Å
• c: 10.2609 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1080.33 ± 0.018 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.0141
• Residual factor for significantly intense reflections: 0.0141
• Weighted residual factors for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections included in the refinement: 0.0306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No