Crystallography Open Database

Information card for entry 4340710

Preview

Coordinates	4340710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K0.5 Li0.5 Nb5 O15 Pb2
Calculated formula	K0.5 Nb5 O15 Pb1.99997
Title of publication	Ordered Structure and Thermal Expansion in Tungsten Bronze Pb2K0.5Li0.5Nb5O15.
Authors of publication	Lin, Kun; Rong, Yangchun; Wu, Hui; Huang, Qingzhen; You, Li; Ren, Yang; Fan, Longlong; Chen, Jun; Xing, Xianran
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	17
Pages of publication	9174 - 9180
a	12.56672 ± 0.00001 Å
b	12.56672 ± 0.00001 Å
c	3.924914 ± 0.000004 Å
α	90°
β	90°
γ	90°
Cell volume	619.832 ± 0.0009 Å³
Cell temperature	823 K
Ambient diffraction temperature	823 K
Number of distinct elements	5
Space group number	127
Hermann-Mauguin space group symbol	P 4/m b m
Hall space group symbol	-P 4 2ab
Residual factor for all reflections	13.3
Weighted residual factors for all reflections	3.83
Residual factor R(I) for significantly intense reflections	7.79
Goodness-of-fit parameter for all reflections	3.63
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα
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.	4340710.cif
132091	2015-02-20	cif/4/34/07/ (antanas@koala.ibt.lt) Formating '_geom_angle' and '_geom_bond' loops for CIF 4340710.	4340710.cif
122950	2014-09-06	cif/ Updating files of 4340710, 4340711 Original log message: Adding full bibliography for 4340710--4340711.cif.	4340710.cif
122014	2014-08-18	cif/ Adding structures of 4340710 via cif-deposit CGI script.	4340710.cif