Crystallography Open Database

Information card for entry 4107896

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Structure parameters

Formula	Ba Fe2 O4
Calculated formula	Ba Fe2 O4
Title of publication	Modular Construction of Oxide Structures-Compositional Control of Transition Metal Coordination Environments
Authors of publication	Christophe Tenailleau; Mathieu Allix; John B. Claridge; Maryvonne Hervieu; Michael F. Thomas; James P. Hirst; Matthew J. Rosseinsky
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	7570 - 7583
a	18.99784 Å
b	5.38025 Å
c	8.43848 Å
α	90°
β	90°
γ	90°
Cell volume	862.523 Å³
Number of distinct elements	3
Space group number	36
Hermann-Mauguin space group symbol	B b 21 m
Hall space group symbol	B -2 -2b
RFsqd	0.08315
Goodness-of-fit parameter for all reflections	1.11
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.78896 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181928 (current)	2016-04-07	hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/10.	4107896.cif 4107896.hkl
180700	2016-04-02	cod/ (antanas@echidna.ibt.lt) Setting the 'svn:keywords' property for all '*.hkl' files that were previously unaffected by this property.	4107896.cif 4107896.hkl
178824	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/78.	4107896.cif 4107896.hkl
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107896.cif 4107896.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.	4107896.cif 4107896.hkl
56237	2012-05-09	smi/4 Adding miscelaneous SMILES in subdir 4	4107896.cif 4107896.hkl
56221	2012-05-09	cif/ Adding structures of 4107896 via cif-deposit CGI script.	4107896.cif