Information card for entry 4519280

Structure parameters

• Formula: Cd2 Cs2 Ga8 S15
• Calculated formula: Cd2 Cs2 Ga8 S15
• Title of publication: Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i>¹⁰ Metal; M: Main Group Metal; Q: Chalcogen) System.
• Authors of publication: Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2022
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 4352 - 4359
• a: 11.8574 ± 0.0005 Å
• b: 12.9781 ± 0.0006 Å
• c: 17.527 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2697.2 ± 0.2 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No