Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2101168
Preview
Coordinates | 2101168.cif |
---|---|
Original IUCr paper | HTML |
External links | AMCSD; ChemSpider |
Mineral name | Hematite |
---|---|
Formula | Fe2 O3 |
Calculated formula | Fe2 O3 |
SMILES | [Fe+3].[Fe+3].[O-2].[O-2].[O-2] |
Title of publication | Synchrotron X-ray study of the electron density in α-Fe~2~O~3~ |
Authors of publication | Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 1994 |
Journal volume | 50 |
Journal issue | 4 |
Pages of publication | 435 - 441 |
a | 5.0355 ± 0.0005 Å |
b | 5.0355 ± 0.0005 Å |
c | 13.7471 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 301.88 ± 0.07 Å3 |
Number of distinct elements | 2 |
Hermann-Mauguin space group symbol | R -3 c :H |
Hall space group symbol | -R 3 2"c |
Diffraction radiation wavelength | 0.7 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
282067 (current) | 2023-03-26 | cod/ (saulius@tasmanijos-velnias) Adding AMCSD ID to the '_cod_related_entry_' data loop. |
2101168.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. |
2101168.cif |
201972 | 2017-10-13 | cif/ Marking COD entries in range 2/10 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2101168.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. |
2101168.cif |
91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2101168.cif |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2101168.cif |
1072 | 2010-04-10 | cif/2/ Fixing spacegroup names in 17 rhombohedral cell/hexagonal setting entries. |
2101168.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. |
2101168.cif |
340 | 2008-04-05 | Fixing CIF files headers in the CIF files from the Acta-Cryst-B/ retrospecive deposition. |
2101168.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. |
2101168.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.