Crystallography Open Database  
  
  - COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4313217
Preview
| Coordinates | 4313217.cif | 
|---|---|
| Structure factors | 4313217.hkl | 
| Original paper (by DOI) | HTML | 
| External links | ChemSpider | 
| Formula | Al | 
|---|---|
| Calculated formula | Al | 
| SMILES | [Al] | 
| 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 | 4.05242 ± 0.00009 Å | 
| b | 4.05242 Å | 
| c | 4.05242 Å | 
| α | 90° | 
| β | 90° | 
| γ | 90° | 
| Cell volume | 66.5493 ± 0.0015 Å3 | 
| Number of distinct elements | 1 | 
| Space group number | 225 | 
| Hermann-Mauguin space group symbol | F m -3 m | 
| Hall space group symbol | -F 4 2 3 | 
| 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 | 
|---|---|---|---|
| 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. | 4313217.cif 4313217.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. | 4313217.cif 4313217.hkl | 
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313217.cif 4313217.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. | 4313217.cif 4313217.hkl | 
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. | 4313217.cif 4313217.hkl | 
| 34320 | 2012-02-24 | hkl/ Reorganizing all Fobs directories (.hkl files) into a prefix tree directory. | 4313217.cif 4313217.hkl | 
| 32116 | 2012-02-04 | hkl/ Settin the svn:keywords property on the recently deposited .hkl files. | 4313217.cif 4313217.hkl | 
| 7476 | 2011-01-18 | hkl/4 Adding a few structure factor files corresponding to structures in year 2003 of Inorg. Chem. | 4313217.cif 4313217.hkl | 
| 6286 | 2011-01-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4313217 via cif-deposit CGI script. | 4313217.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.