Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7712652
Preview
| Coordinates | 7712652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | CsHg4Ga5Se12 |
|---|---|
| Formula | Ga5 Hg4 Rb S12 |
| Calculated formula | Ga5.0001 Hg3.9999 Rb S12 |
| Title of publication | Open Honeycomb Frameworks of Sulphides AHg4Ga5S12 (A = Rb, Cs) Exhibiting Infrared Nonlinear Optical Properties |
| Authors of publication | Lou, Xiao-Yu; Zhou, Yu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 13.7889 ± 0.0006 Å |
| b | 13.7889 ± 0.0006 Å |
| c | 9.3461 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1538.94 ± 0.15 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 | 0.0319 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0594 |
| Weighted residual factors for all reflections included in the refinement | 0.0596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281941 (current) | 2023-03-19 | cif/ Adding structures of 7712652, 7712653 via cif-deposit CGI script. |
7712652.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.