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Information card for entry 2300061
Preview
| Coordinates | 2300061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Formula | C Fe3 |
|---|---|
| Calculated formula | C Fe3 |
| SMILES | [Fe].[Fe].[Fe].[C] |
| Title of publication | Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600 K determined by time-of-flight neutron powder diffraction |
| Authors of publication | Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2004 |
| Journal volume | 37 |
| Journal issue | 1 |
| Pages of publication | 82 - 90 |
| a | 5.08493 ± 0.00014 Å |
| b | 6.73631 ± 0.00018 Å |
| c | 4.514 ± 0.00012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 154.621 Å3 |
| Cell temperature | 4.2 K |
| Ambient diffraction temperature | 4.2 K |
| Number of distinct elements | 2 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282477 (current) | 2023-04-06 | cif/2/30/00/ Marked entries 2300061-2300091 as being related to AMCSD entries 0019098-0019128 using the COD_RELATED_ENTRY loop. |
2300061.cif |
| 199822 | 2017-08-17 | cif/2/30/ (antanas@echidna.ibt.lt) Adding the _database_code_amcsd data item in entries 2300061-2300091. |
2300061.cif |
| 199821 | 2017-08-17 | cif/2/30/00/ (antanas@echidna.ibt.lt) Adding the _cell_measurement_temperature and _diffrn_ambient_temperature data items in entries 2300061-2300091 after consulting the original publication. |
2300061.cif |
| 199817 | 2017-08-17 | cif/2/30/00/ (antanas@echidna.ibt.lt) Updating bibliography in entries 2300061, 2300062, 2300063. |
2300061.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
2300061.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2300061.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2300061.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. |
2300061.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
2300061.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2300061.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
2300061.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
2300061.cif |
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Users of the data should acknowledge the original authors of the
structural data.