Crystallography Open Database

Information card for entry 4330274

Preview

Coordinates	4330274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Li6 Mo6 O33 Se6
Calculated formula	Li6 Mo6 O33 Se6
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	8.2687 ± 0.0004 Å
b	16.6546 ± 0.0007 Å
c	19.2321 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2648.5 ± 0.2 Å³
Cell temperature	298 ± 0.2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0641
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
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.	4330274.cif
79525	2013-04-05	cif/ Adding structures of 4330274 via cif-deposit CGI script.	4330274.cif