Crystallography Open Database

Information card for entry 4001007

Preview

Coordinates	4001007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K0.05 La0.91 Nb O4.1
Calculated formula	K0.05 La0.913 Nb O4.099
Title of publication	Aqueous Synthesis and Structural Comparison of Rare Earth Niobates and Tantalates: (La,K,◻)2Nb2O7−x(OH)2and Ln2Ta2O7(OH)2(◻ = vacancy; Ln = La−Sm)
Authors of publication	Nyman, May; Rodriguez, Mark A.; Alam, Todd M.; Anderson, Travis M.; Ambrosini, Andrea
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	11
Pages of publication	2201
a	14.0652 ± 0.0002 Å
b	3.9413 ± 0.0001 Å
c	6.7477 ± 0.0001 Å
α	90°
β	91.283 ± 0.001°
γ	90°
Cell volume	373.966 ± 0.012 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
RFsqd	0.03372
Goodness-of-fit parameter for all reflections	1.73
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41317 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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.	4001007.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001007.cif
38875	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4001007 via cif-deposit CGI script.	4001007.cif