Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2300674
Preview
| Coordinates | 2300674.cif |
|---|---|
| Structure factors | 2300674.hkl |
| Original paper (by DOI) | HTML |
| Formula | Cu K Na O8 S2 |
|---|---|
| Calculated formula | Cu K Na O8 S2 |
| Title of publication | Expanding the family of mineral-like anhydrous alkali copper sulfate framework structures: new phases, topological analysis and evaluation of ion migration potentialities |
| Authors of publication | Borisov, Artem S.; Siidra, Oleg I.; Kovrugin, Vadim M.; Golov, Andrey A.; Depmeier, Wulf; Nazarchuk, Evgeny V.; Holzheid, Astrid |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2021 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 237 - 250 |
| a | 15.9721 ± 0.001 Å |
| b | 9.4576 ± 0.0006 Å |
| c | 9.0679 ± 0.0006 Å |
| α | 90° |
| β | 93.635 ± 0.001° |
| γ | 90° |
| Cell volume | 1367.02 ± 0.15 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0349 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261803 (current) | 2021-02-05 | cif/ Updating files of 2300673, 2300674 Original log message: Adding full bibliography for 2300673--2300674.cif. |
2300674.cif 2300674.hkl |
| 261295 | 2021-01-28 | cif/ hkl/ Adding structures of 2300673, 2300674 via cif-deposit CGI script. |
2300674.cif 2300674.hkl |
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.