Crystallography Open Database

Information card for entry 4326534

Preview

Coordinates	4326534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba3.97 Fe3 K1.03 O9
Calculated formula	Ba3.96925 Fe3 K1.03075 O9
Title of publication	Ba4KFe3O9: A Novel Ferrite Containing Discrete 6-Membered Rings of Corner-Sharing FeO4 Tetrahedra
Authors of publication	Qingbiao Zhao; Saritha Nellutla; Won-Joon Son; Shae A. Vaughn; Longfei Ye; Mark D. Smith; Vincent Caignaert; Michael Lufaso; Thomas M. Pekarek; Alex I. Smirnov; Myung-Hwan Whangbo; Hans-Conrad zur Loye
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10310 - 10318
a	16.7644 ± 0.0002 Å
b	16.7644 ± 0.0002 Å
c	16.7644 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4711.55 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179368 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/65.	4326534.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326534.cif
48827	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326534 via cif-deposit CGI script.	4326534.cif