Crystallography Open Database

Information card for entry 4309913

Preview

Coordinates	4309913.cif
Structure factors	4309913.hkl
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 Fe3 O8 Y
Calculated formula	Ba2 Fe3 O7.9998 Y
Title of publication	Crystal Structure of Stoichiometric YBa2Fe3O8
Authors of publication	Pavel Karen; Emmanuelle Suard; François Fauth
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8170 - 8172
a	3.917916 ± 0.000005 Å
b	3.917916 Å
c	11.824436 ± 0.000022 Å
α	90°
β	90°
γ	90°
Cell volume	181.506 ± 0.0004 Å³
Number of distinct elements	4
Space group number	123
Hermann-Mauguin space group symbol	P 4/m m m
Hall space group symbol	-P 4 2
Goodness-of-fit parameter for all reflections	1.92
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4309913.cif 4309913.hkl
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309913.cif 4309913.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.	4309913.cif 4309913.hkl
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309913.cif 4309913.hkl
34320	2012-02-24	hkl/ Reorganizing all Fobs directories (.hkl files) into a prefix tree directory.	4309913.cif 4309913.hkl
32116	2012-02-04	hkl/ Settin the svn:keywords property on the recently deposited .hkl files.	4309913.cif 4309913.hkl
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4309913.cif 4309913.hkl
1548	2010-10-06	hkl/4 hkl files (powder data) in subdir 4 adapted to what Saulius said in the discussion list	4309913.cif 4309913.hkl
1540	2010-10-05	hkl/4 Adding a few files with powder diffraction experimental data associated to cif's previously deposited of the Inorg Chem 2005 set	4309913.cif 4309913.hkl
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309913.cif