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Information card for entry 2300741
Preview
| Coordinates | 2300741.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 Ca3 K2 O12 |
|---|---|
| Calculated formula | C3.999 Ca3 K2 O11.999 |
| Title of publication | Coupling between cation and anion disorder in β-K2Ca3(CO3)4 |
| Authors of publication | Rashchenko, Sergey V.; Ignatov, Mark A.; Shatskiy, Anton F.; Arefiev, Anton V.; Litasov, Konstantin D. |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2024 |
| Journal volume | 57 |
| Journal issue | 3 |
| a | 7.5371 ± 0.0002 Å |
| b | 16.1777 ± 0.0005 Å |
| c | 8.7793 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1070.49 ± 0.06 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0761 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1077 |
| Weighted residual factors for all reflections included in the refinement | 0.1108 |
| Goodness-of-fit parameter for significantly intense reflections | 1.5135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2187 |
| 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 |
|---|---|---|---|
| 291386 (current) | 2024-04-27 | cif/ Adding structures of 2300741, 2300742 via cif-deposit CGI script. |
2300741.cif |
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