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Information card for entry 4313216
Preview
| Coordinates | 4313216.cif |
|---|---|
| Structure factors | 4313216.hkl |
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| 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 | 7.8643 ± 0.0006 Å |
| b | 7.8344 ± 0.0007 Å |
| c | 15.1369 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 932.62 ± 0.13 Å3 |
| Number of distinct elements | 1 |
| Space group number | 47 |
| Hermann-Mauguin space group symbol | P m m m |
| Hall space group symbol | -P 2 2 |
| Goodness-of-fit parameter for all reflections | 1.08 |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4313216.cif 4313216.hkl |
| 201982 | 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. |
4313216.cif 4313216.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. |
4313216.cif 4313216.hkl |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313216.cif 4313216.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. | 4313216.cif 4313216.hkl |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313216.cif 4313216.hkl |
| 34320 | 2012-02-24 | hkl/ Reorganizing all Fobs directories (.hkl files) into a prefix tree directory. |
4313216.cif 4313216.hkl |
| 32116 | 2012-02-04 | hkl/ Settin the svn:keywords property on the recently deposited .hkl files. |
4313216.cif 4313216.hkl |
| 7476 | 2011-01-18 | hkl/4 Adding a few structure factor files corresponding to structures in year 2003 of Inorg. Chem. |
4313216.cif 4313216.hkl |
| 6285 | 2011-01-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4313216 via cif-deposit CGI script. |
4313216.cif |
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Users of the data should acknowledge the original authors of the
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