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Information card for entry 4004052
Preview
Coordinates | 4004052.cif |
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Original paper (by DOI) | HTML |
Common name | K4CdGa9S16Cl |
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Formula | Cd Cl Ga9 K4 S16 |
Calculated formula | Cd Cl Ga9 K4 S16 |
Title of publication | Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations |
Authors of publication | Pei, Shao-Min; Liu, Bin-Wen; Jiang, Xiao-Ming; Zou, Ya-Qian; Chen, Wen-Fa; Yan, Qiu-Nan; Guo, Guo-Cong |
Journal of publication | Chemistry of Materials |
Year of publication | 2021 |
Journal volume | 33 |
Journal issue | 22 |
Pages of publication | 8831 - 8837 |
a | 8.4328 ± 0.0002 Å |
b | 9.8807 ± 0.0002 Å |
c | 9.9005 ± 0.0002 Å |
α | 68.215 ± 0.002° |
β | 74.887 ± 0.002° |
γ | 84.956 ± 0.002° |
Cell volume | 739.49 ± 0.03 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0817 |
Weighted residual factors for all reflections included in the refinement | 0.0826 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4004052.html
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Users of the data should acknowledge the original authors of the
structural data.