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Information card for entry 1011149
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| Coordinates | 1011149.cif |
|---|
| Chemical name | Barium carbonate |
|---|---|
| Mineral name | Witherite |
| Formula | C Ba O3 |
| Calculated formula | C Ba O3 |
| SMILES | [Ba+2].C(=O)([O-])[O-] |
| Title of publication | The crystal structure of witherite. |
| Authors of publication | Colby, M Y; la Coste, J B |
| Journal of publication | Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) |
| Year of publication | 1935 |
| Journal volume | 90 |
| Pages of publication | 1 - 7 |
| a | 5.28 ± 0.02 Å |
| b | 8.83 ± 0.02 Å |
| c | 6.39 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 297.9 Å3 |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P m c n S1 |
| Hall space group symbol | -P 2n 2a |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.