Crystallography Open Database

Information card for entry 4330276

Preview

Coordinates	4330276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Li2 O6 Te W
Calculated formula	Li2 O6 Te W
Title of publication	Synthesis, Structure, and Characterization of New Li± d0-Lone-Pair - Oxides: Noncentrosymmetric Polar Li6(Mo2O5)3(SeO3)6and Centrosymmetric Li2(MO3)(TeO3) (M = Mo6+or W6+)
Authors of publication	Sau Doan Nguyen; P. Shiv Halasyamani
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9529 - 9538
a	5.395 ± 0.0005 Å
b	12.944 ± 0.0012 Å
c	7.0149 ± 0.0007 Å
α	90°
β	94.251 ± 0.001°
γ	90°
Cell volume	488.52 ± 0.08 Å³
Cell temperature	293 ± 0.2 K
Ambient diffraction temperature	293 ± 0.2 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
Residual factor for all reflections	0.0213
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0529
Goodness-of-fit parameter for all reflections included in the refinement	1.198
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4330276.cif
79527	2013-04-05	cif/ Adding structures of 4330276 via cif-deposit CGI script.	4330276.cif