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Information card for entry 1010931
Preview
| Coordinates | 1010931.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Chemical name | Iron carbide (3/1) |
|---|---|
| Mineral name | Cohenite |
| Formula | C Fe3 |
| Calculated formula | C Fe3 |
| SMILES | [Fe].[Fe].[Fe].[C] |
| Title of publication | A Study on the Structure of Cementite |
| Authors of publication | Shimura, Shigetaka |
| Journal of publication | Proceedings of the Imperial Academy (Tokyo) |
| Year of publication | 1930 |
| Journal volume | 6 |
| Journal issue | 7 |
| Pages of publication | 269 - 271 |
| a | 4.511 Å |
| b | 5.047 Å |
| c | 6.738 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 153.404 Å3 |
| Number of distinct elements | 2 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a (c,a-1/4,b) |
| Hall space group symbol | -P 2ac 2n (z,x,y+1/4) |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282478 (current) | 2023-04-06 | cif/ Marked entries as being related to AMCSD using the COD_RELATED_ENTRY loop. |
1010931.cif |
| 278158 | 2022-09-25 | cod/ Reformatted the summary chemical formuale using the 'cif_filter' program. |
1010931.cif |
| 176264 | 2016-02-08 | cif/ (antanas@kurmis) Updating the space group and cell constants for entries 9014589, 9015586 after consulting the original paper. It seems that a standard cell setting was used instead of the non-standard one reported in the paper. Due to changes in these parameters the crystal density and chemical formula sum was also updated. Both entries were also marked as duplicates of entry 1010931. |
1010931.cif |
| 176262 | 2016-02-08 | cif/1/01/ (antanas@kurmis) Updating cell constants and cell volume after consulting the original publication and estimating the space group for entry 1010931. |
1010931.cif |
| 176254 | 2016-02-07 | cif/ (antanas@kurmis) Updating bibliography for entries 1000053, 1010931, 1010988, 1011018, 1011039, 1011182, 1514099, 1533087, 1537454. |
1010931.cif |
| 77586 | 2013-03-28 | cod/cif/ (saulius@koala.ibt.lt) Merging mineral data updates (_chemical_name_mineral, _chemical_name_common, structural formulae) sent to me by T.D. in his e-mail. The merge was done by the command: for i in split/*.cif do ( B=$(basename $i); C=$(echo $B|awk '{print "/home/saulius/struct/cod/cif/"substr($0,1,1)"/"substr($0,2,2)"/"substr($0,4,2)"/"$0}'); ( set -x; cif_merge --over \ _chemical_name_mineral,_chemical_name_structure_type,_chemical_name_common,_chemical_name_systematic,_chemical_formula_structural,_chemical_formula_sum \ $C $i ) \ | cif_filter --add-cif-header $C \ | sponge $C ) done in the working copy of the following repository: URL: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction/contributions Repository Root: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction Repository UUID: 9acf3947-1f02-0410-ae2a-984b57ad209b Revision: 2625 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 2625 Last Changed Date: 2013-03-28 15:13:00 +0200 (Thu, 28 Mar 2013) |
1010931.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1010931.cif |
| 20519 | 2011-06-11 | smi/* and cif/* Adding SMILES for all structures with nel=1 in the mysql entries, supossed to be pure elements. For most of them, just the element symbol remains since SMILES strings and substructure search makes no sense for compact packed structures. Only for molecularly defined substances (for example cyclosulphur moieties) a proper SMILES string has been defined. This does not add too much funcionality to substructure search but flags a large number of structures as "SMILES done". Some of them were found to be not pure elements (carbides, boranes, hydrocarbons) but were added anyway. CIF files and SQL entries have been fixed for these as well as for other with obviously wrong formulas. |
1010931.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. |
1010931.cif |
| 720 | 2009-05-13 | cod/cif/: Adding loop_ token in front of the _publ_author_name tag in all COD entries where _publ_author_name was not in a loop (this tag is loop-mandatory). |
1010931.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/' |
1010931.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1010931.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. |
1010931.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) |
1010931.cif |
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Users of the data should acknowledge the original authors of the
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