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Information card for entry 9017411
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| Coordinates | 9017411.cif |
|---|---|
| External links | AMCSD |
| Mineral name | Vaterite |
|---|---|
| Formula | C Ca O3 |
| Calculated formula | C Ca O3 |
| Title of publication | A new structural model for disorder in vaterite from first-principles calculations |
| Authors of publication | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Pages of publication | 44 - 47 |
| a | 4.3668 Å |
| b | 6.5831 Å |
| c | 8.4282 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 242.286 Å3 |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292100 (current) | 2024-05-29 | Inserting Z values into entries of range 9 that miss it |
9017411.cif |
| 282074 | 2023-03-27 | cod/ (saulius@kukutis) Syncronising the AMCSD and the COD: depositing those AMCSD files that are genuinely new (i.e. do not have corresponding COD entries when compared using DOI, atomic coordinates, cell parameters and symmetry). |
9017411.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.