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Information card for entry 2108925
Preview
| Coordinates | 2108925.cif |
|---|---|
| Structure factors | 2108925.hkl |
| Original IUCr paper | HTML |
| Formula | Cu8 K5.13 Na10.87 O64 S16 |
|---|---|
| Calculated formula | Cu8 K5.128 Na10.872 O64 S16 |
| Title of publication | K(Na,K)Na~2~[Cu~2~(SO~4~)~4~]: a new highly porous anhydrous sulfate and evaluation of possible ion migration pathways |
| Authors of publication | Siidra, Oleg I.; Charkin, Dmitry O.; Kovrugin, Vadim M.; Borisov, Artem S. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 6 |
| Pages of publication | 1003 - 1011 |
| a | 12.5085 ± 0.0009 Å |
| b | 9.3166 ± 0.0007 Å |
| c | 12.7894 ± 0.001 Å |
| α | 90° |
| β | 107.775 ± 0.002° |
| γ | 90° |
| Cell volume | 1419.29 ± 0.19 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0696 |
| Weighted residual factors for all reflections included in the refinement | 0.0765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271668 (current) | 2022-01-01 | cif/ hkl/ Adding structures of 2108925 via cif-deposit CGI script. |
2108925.cif 2108925.hkl |
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Users of the data should acknowledge the original authors of the
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