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Information card for entry 3000000
Preview
| Coordinates | 3000000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Mineral name | Vaterite |
|---|---|
| Formula | C Ca O3 |
| Calculated formula | C Ca O3 |
| SMILES | O=C([O-])[O-].[Ca+2] |
| Title of publication | Microtwinning hypothesis for a more ordered vaterite model |
| Authors of publication | Armel Le Bail; Salim Ouhenia; Daniel Chateigner |
| Journal of publication | Powder Diffraction |
| Year of publication | 2011 |
| Journal volume | 26 |
| Pages of publication | 16 - 21 |
| a | 8.4721 ± 0.0005 Å |
| b | 7.1575 ± 0.0007 Å |
| c | 4.1265 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 250.23 ± 0.04 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 40 |
| Hermann-Mauguin space group symbol | A m a 2 |
| Hall space group symbol | A 2 -2a |
| Residual factor R(I) for significantly intense reflections | 5.2218 |
| Method of determination | powder diffraction |
| Diffraction radiation type | X-ray |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282068 (current) | 2023-03-26 | cod/ (saulius@tasmanijos-velnias) Adding the '_cod_related_entry_...' loop to those COD AMCSD entries that lacked it, and adding the related AMCSD database ID to this loop. |
3000000.cif |
| 282053 | 2023-03-24 | cod/ (saulius@tasmanijos-velnias) Updating the existing COD records from the recent AMCSD downloads: - Adding AMCSD IDs to those COD records that exacly matched the AMCSD structures (comparing unit cells, space groups, coordinates and measurement conditions) but did not yet have the AMCSD ID; - Adding new mineral names, compound sources, measurement conditions (when those were missing) and other informations from the AMCSD CIFs. |
3000000.cif |
| 176722 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 3. |
3000000.cif |
| 120069 | 2014-07-11 | cif/ (saulius@koala.ibt.lt) Adding DOIs of the released structures in range 3. |
3000000.cif |
| 60499 | 2012-06-15 | cif/ Updating files of 3000000 Original log message: Releasing structure 3000000 into public domain as published material. |
3000000.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.