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Information card for entry 1557152
Preview
| Coordinates | 1557152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Double Carbonate K2Ca2(CO3)3 |
|---|---|
| Formula | C3 Ca2 K2 O9 |
| Calculated formula | C3 Ca2 K2 O9 |
| SMILES | C(=O)([O-])[O-].[Ca+2].[K+].[K+].C(=O)([O-])[O-].C(=O)([O-])[O-].[Ca+2] |
| Title of publication | Crystal Structure of the Double Carbonate K2Ca2(CO3)3 |
| Authors of publication | Winbo, Camilla; Bostrom, Dan; Gobbels, Matthias |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1997 |
| Journal volume | 51 |
| Pages of publication | 387 - 391 |
| a | 13.01 ± 0.004 Å |
| b | 13.01 ± 0.004 Å |
| c | 8.615 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1262.8 ± 0.7 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for significantly intense reflections | 0.018 |
| Weighted residual factors for significantly intense reflections | 0.018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| 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 |
|---|---|---|---|
| 247251 (current) | 2020-01-27 | cif/ Adding structures of 1557152 via cif-deposit CGI script. |
1557152.cif |
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Users of the data should acknowledge the original authors of the
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