Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4002844
Preview
| Coordinates | 4002844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ga5 Hg4 K Se12 |
|---|---|
| Calculated formula | Ga5.001 Hg3.999 K Se12 |
| Title of publication | Hg-Based Infrared Nonlinear Optical Material KHg4Ga5Se12 Exhibits Good Phase-Matchability and Exceptional Second Harmonic Generation Response |
| Authors of publication | Zhou, Molin; Yang, Yi; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2017 |
| Journal volume | 29 |
| Journal issue | 18 |
| Pages of publication | 7993 |
| a | 14.3203 ± 0.0005 Å |
| b | 14.3203 ± 0.0005 Å |
| c | 9.7057 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1723.7 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0463 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201748 (current) | 2017-10-05 | cif/ Updating files of 4002844 Original log message: Adding full bibliography for 4002844.cif. |
4002844.cif |
| 200483 | 2017-09-12 | cif/ Adding structures of 4002844 via cif-deposit CGI script. |
4002844.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.