Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1561544
Preview
| Coordinates | 1561544.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cl Na3 O4 W |
|---|---|
| Calculated formula | Cl Na3 O4 W |
| SMILES | O=[W](=O)([O-])[O-].[Cl-].[Na+].[Na+].[Na+] |
| Title of publication | Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo) |
| Authors of publication | Han, Shujuan; Bai, Chunyan; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2016 |
| Journal volume | 237 |
| Pages of publication | 14 - 18 |
| a | 7.5181 ± 0.0015 Å |
| b | 7.5181 ± 0.0015 Å |
| c | 5.36 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 302.96 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 129 |
| Hermann-Mauguin space group symbol | P 4/n m m :2 |
| Hall space group symbol | -P 4a 2a |
| Residual factor for all reflections | 0.0104 |
| Residual factor for significantly intense reflections | 0.0099 |
| Weighted residual factors for significantly intense reflections | 0.0275 |
| Weighted residual factors for all reflections included in the refinement | 0.0279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.192 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263947 (current) | 2021-04-07 | cif/ Adding structures of 1561543, 1561544 via cif-deposit CGI script. |
1561544.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.