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Information card for entry 2109102
Preview
| Coordinates | 2109102.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C7 Ca0 K11 O21 |
|---|---|
| Calculated formula | C7 K11 O21 |
| Title of publication | Novel dense crystal structure of high-pressure synthetic K8Ca3(CO3)7 as described through cation-carbon nets |
| Authors of publication | Likhacheva, Anna Yu.; Rashchenko, Sergey V.; Ignatov, Mark A.; Romanenko, Alexandr V.; Shatsky, Anton F. |
| Journal of publication | Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials |
| Year of publication | 2025 |
| Journal volume | 81 |
| Pages of publication | 466 |
| a | 7.1358 ± 0.0003 Å |
| b | 16.3645 ± 0.0009 Å |
| c | 16.366 ± 0.001 Å |
| α | 60.025 ± 0.006° |
| β | 89.996 ± 0.004° |
| γ | 89.971 ± 0.004° |
| Cell volume | 1655.5 ± 0.18 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1927 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.0973 |
| Weighted residual factors for all reflections included in the refinement | 0.1335 |
| Goodness-of-fit parameter for significantly intense reflections | 1.5652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.343 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306174 (current) | 2026-06-03 | cif/ Adding structures of 2109102 via cif-deposit CGI script. |
2109102.cif |
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Users of the data should acknowledge the original authors of the
structural data.