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Information card for entry 2021616
Preview
| Coordinates | 2021616.cif |
|---|---|
| Structure factors | 2021616.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Barium Calcium Carbonate |
|---|---|
| Formula | C2 Ba Ca O6 |
| Calculated formula | C2 Ba Ca O6 |
| Title of publication | A new BaCa(CO3)2 polymorph |
| Authors of publication | Spahr, Dominik; Bayarjargal, Lkhamsuren; Vinograd, Victor; Luchitskaia, Rita; Milman, Victor; Winkler, Björn |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 3 |
| a | 6.6775 ± 0.0005 Å |
| b | 5.0982 ± 0.0004 Å |
| c | 4.19239 ± 0.00029 Å |
| α | 90° |
| β | 109.259 ± 0.0013° |
| γ | 90° |
| Cell volume | 134.736 ± 0.017 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| RFsqd | 0.13286 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215128 (current) | 2019-05-14 | cif/ hkl/ Adding structures of 2021616 via cif-deposit CGI script. |
2021616.cif 2021616.hkl |
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