Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7005928
Preview
| Coordinates | 7005928.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Hg3 O5 Se4 |
|---|---|
| Calculated formula | Hg3 O5 Se4 |
| Title of publication | Synthesis, crystal and band structures, and optical properties of a new mixed-framework mercury selenide diselenite, (Hg3Se2)(Se2O5). |
| Authors of publication | Zou, Jian-Ping; Guo, Guo-Cong; Guo, Sheng-Ping; Lu, Ying-Bing; Wu, Ke-Jun; Wang, Ming-Sheng; Huang, Jin-Shun |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 42 |
| Pages of publication | 4854 - 4858 |
| a | 7.487 ± 0.002 Å |
| b | 7.7626 ± 0.0012 Å |
| c | 9.0689 ± 0.0018 Å |
| α | 95.528 ± 0.016° |
| β | 108.55 ± 0.02° |
| γ | 107.759 ± 0.016° |
| Cell volume | 464.84 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| 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/7005928.html
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.