Crystallography Open Database

Information card for entry 1008937

Preview

Coordinates	1008937.cif
External links	AMCSD

Structure parameters

Chemical name	Iron carbide (7/3)
Formula	C3 Fe7
Calculated formula	C3 Fe7
SMILES	[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[C].[C].[C]
Title of publication	Etude structurale des carbures de manganese
Authors of publication	Bouchard, J P
Journal of publication	Annales de Chimie (Paris) (Vol=Year)
Year of publication	1967
Journal volume	1967
Pages of publication	353 - 366
a	4.537 Å
b	6.892 Å
c	11.913 Å
α	90°
β	90°
γ	90°
Cell volume	372.5 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
278158 (current)	2022-09-25	cod/ Reformatted the summary chemical formuale using the 'cif_filter' program.	1008937.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1008937.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1008937.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.	1008937.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.	1008937.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).	1008937.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/'	1008937.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1008937.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.	1008937.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)	1008937.cif