Crystallography Open Database

Information card for entry 4115316

Preview

Coordinates	4115316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba3 Na O9 Ru2
Calculated formula	Ba3 Na O9 Ru2
SMILES	O1[Ru]23([O-])([O-])(O[Ru]13(O2)([O-])([O-])[O-])[O-].[Ba+2].[Na+].[Ba+2].[Ba+2]
Title of publication	Novel Mixed-Valent (V/VI) Triple Perovskite Ruthenates: Observation of a Complex Low-Temperature Structural and Magnetic Transition
Authors of publication	Katharine E. Stitzer; Mark D. Smith; William R. Gemmill; Hans-Conrad zur Loye
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	13877 - 13885
a	5.8729 ± 0.0002 Å
b	5.8729 ± 0.0002 Å
c	14.4676 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	432.15 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0233
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0485
Weighted residual factors for all reflections included in the refinement	0.0494
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
178924 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/53.	4115316.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115316.cif
68770	2012-11-20	cif/ Adding structures of 4115316 via cif-deposit CGI script.	4115316.cif