Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4313205
Preview
| Coordinates | 4313205.cif |
|---|---|
| Structure factors | 4313205.hkl |
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | Fe |
|---|---|
| Calculated formula | Fe |
| SMILES | [Fe] |
| Title of publication | Mixed Valence in YBaFe2O5 |
| Authors of publication | Patrick M. Woodward; Pavel Karen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 1121 - 1129 |
| a | 8.0179 ± 0.0007 Å |
| b | 7.6953 ± 0.0015 Å |
| c | 7.5547 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 466.13 ± 0.11 Å3 |
| Number of distinct elements | 1 |
| Space group number | 51 |
| Hermann-Mauguin space group symbol | P m m a |
| Hall space group symbol | -P 2a 2a |
| Goodness-of-fit parameter for all reflections | 1.18 |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4313205.cif 4313205.hkl |
| 179188 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/32. |
4313205.cif 4313205.hkl |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313205.cif 4313205.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 4313205.cif 4313205.hkl |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313205.cif 4313205.hkl |
| 34320 | 2012-02-24 | hkl/ Reorganizing all Fobs directories (.hkl files) into a prefix tree directory. |
4313205.cif 4313205.hkl |
| 32116 | 2012-02-04 | hkl/ Settin the svn:keywords property on the recently deposited .hkl files. |
4313205.cif 4313205.hkl |
| 7476 | 2011-01-18 | hkl/4 Adding a few structure factor files corresponding to structures in year 2003 of Inorg. Chem. |
4313205.cif 4313205.hkl |
| 6274 | 2011-01-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4313205 via cif-deposit CGI script. |
4313205.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.