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Information card for entry 6000577
Preview
| Coordinates | 6000577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Iron Phospphate |
|---|---|
| Chemical name | Iron Phospphate |
| Formula | Fe O4 P |
| Calculated formula | Fe O4 P |
| Title of publication | New Iron(III) Phosphate Phases: Crystal Structure and Electrochemical and Magnetic Properties |
| Authors of publication | Yanning Song; Peter Y. Zavalij; Masatsugu Suzuki; M. Stanley Whittingham |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 5778 - 5786 |
| a | 5.4802 ± 0.0006 Å |
| b | 7.4802 ± 0.0008 Å |
| c | 8.0537 ± 0.001 Å |
| α | 90° |
| β | 95.708 ± 0.009° |
| γ | 90° |
| Cell volume | 328.51 ± 0.12 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Goodness-of-fit parameter for all reflections | 4.63 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7093 Å |
| Diffraction radiation type | MoKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191938 (current) | 2017-02-09 | cif/6/00/ (antanas@echidna.ibt.lt) Changing the _atom_site_occupancy data item value from '.' to '1' for all fully occupied atom sites in entry 6000577. |
6000577.cif |
| 176292 | 2016-02-09 | cif/6/ (antanas@kurmis) Removing the _[local]_cod_text data item from multiple entries in range 6, since it held the same information as other data items in the entries (bibliography data items, for example). Also, bibliography was updated in several entries. |
6000577.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
6000577.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
6000577.cif |
| 120070 | 2014-07-11 | cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8. |
6000577.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
6000577.cif |
| 15527 | 2011-03-16 | Updating file 6000577.cif with data downloaded from Inorg. Chem. |
6000577.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. |
6000577.cif |
| 878 | 2009-11-19 | cif/6/ Splitting the corrected 6.cif file, adding the splitted range 6 files: cif_split_primitive -o 6/ < 6.cif |
6000577.cif |
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