Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2100992
Preview
| Coordinates | 2100992.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | MPOD: 1000132, 1000238, 1000270; PubChem |
| Mineral name | calcite |
|---|---|
| Formula | C Ca O3 |
| Calculated formula | C Ca O3 |
| Title of publication | X-ray study of the electron density in calcite, CaCo~3~ |
| Authors of publication | Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1993 |
| Journal volume | 49 |
| Journal issue | 4 |
| Pages of publication | 636 - 641 |
| a | 4.991 ± 0.002 Å |
| b | 4.991 ± 0.002 Å |
| c | 17.062 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 368.1 ± 0.3 Å3 |
| Number of distinct elements | 3 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301802 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure. |
2100992.cif |
| 205135 | 2018-01-13 | cif/2/10/09/ Updating space group information and adding explicit space group information in entry 2100992. |
2100992.cif |
| 202022 | 2017-10-15 | cif/ Marking COD entries that are known to be related to MPOD entries using the _cod_related_entry data loop. |
2100992.cif |
| 188414 | 2016-11-13 | cif/2/10/09/ Adding mineral name for entry 2100992. |
2100992.cif |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2100992.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2100992.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2100992.cif |
| 1072 | 2010-04-10 | cif/2/ Fixing spacegroup names in 17 rhombohedral cell/hexagonal setting entries. |
2100992.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2100992.cif |
| 340 | 2008-04-05 | Fixing CIF files headers in the CIF files from the Acta-Cryst-B/ retrospecive deposition. |
2100992.cif |
| 326 | 2008-04-03 | Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site. |
2100992.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.