Crystallography Open Database

Information card for entry 4110148

Preview

Coordinates	4110148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F5 K Na Nb O
Calculated formula	F5 K Na Nb O
SMILES	[K+].[Na+].[Nb](=O)(F)(F)(F)(F)F
Title of publication	Cation-Anion Interactions and Polar Structures in the Solid State
Authors of publication	Michael R. Marvel; Julien Lesage; Jaewook Baek; P. Shiv Halasyamani; Charlotte L. Stern; Kenneth R. Poeppelmeier
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	13963 - 13969
a	11.8653 ± 0.0011 Å
b	5.8826 ± 0.0006 Å
c	8.1258 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	567.17 ± 0.1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.257
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
178872 (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 4/11/01.	4110148.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110148.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110148.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110148.cif