Crystallography Open Database

Information card for entry 4313213

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Structure parameters

Formula	Fe
Calculated formula	Fe
SMILES	[Fe]
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	7.8684 ± 0.0008 Å
b	7.826 ± 0.0018 Å
c	15.1284 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	931.6 ± 0.2 Å³
Number of distinct elements	1
Space group number	47
Hermann-Mauguin space group symbol	P m m m
Hall space group symbol	-P 2 2
Goodness-of-fit parameter for all reflections	1.12
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

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.	4313213.cif 4313213.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.	4313213.cif 4313213.hkl
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313213.cif 4313213.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.	4313213.cif 4313213.hkl
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313213.cif 4313213.hkl
34320	2012-02-24	hkl/ Reorganizing all Fobs directories (.hkl files) into a prefix tree directory.	4313213.cif 4313213.hkl
32116	2012-02-04	hkl/ Settin the svn:keywords property on the recently deposited .hkl files.	4313213.cif 4313213.hkl
7476	2011-01-18	hkl/4 Adding a few structure factor files corresponding to structures in year 2003 of Inorg. Chem.	4313213.cif 4313213.hkl
6282	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313213 via cif-deposit CGI script.	4313213.cif