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Information card for entry 2300673
Preview
| Coordinates | 2300673.cif |
|---|---|
| Structure factors | 2300673.hkl |
| Original paper (by DOI) | HTML |
| Formula | Cu K0.67 O5.33 S1.33 |
|---|---|
| Calculated formula | Cu K0.666667 O5.33333 S1.33333 |
| 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 | 13.6088 ± 0.0005 Å |
| b | 11.9627 ± 0.0005 Å |
| c | 17.0791 ± 0.0007 Å |
| α | 90° |
| β | 112.45 ± 0.001° |
| γ | 90° |
| Cell volume | 2569.72 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0278 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0587 |
| Weighted residual factors for all reflections included in the refinement | 0.0609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
2300673.cif 2300673.hkl |
| 261295 | 2021-01-28 | cif/ hkl/ Adding structures of 2300673, 2300674 via cif-deposit CGI script. |
2300673.cif 2300673.hkl |
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Users of the data should acknowledge the original authors of the
structural data.