Crystallography Open Database

Information card for entry 4336051

Preview

Coordinates	4336051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B9 Ba Li O15
Calculated formula	B9 Ba Li O15
Title of publication	Three New Mixed-Alkali- and Alkaline-Earth-Metal Borates: From 1D Chain to 2D Layer to 3D Framework
Authors of publication	Han-Qing Wu; Ping Ju; Huan He; Bai-Feng Yang; Guo-Yu Yang
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10566 - 10570
a	10.9642 ± 0.0003 Å
b	10.9642 ± 0.0003 Å
c	17.033 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	1773.27 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0196
Residual factor for significantly intense reflections	0.0145
Weighted residual factors for significantly intense reflections	0.0334
Weighted residual factors for all reflections included in the refinement	0.0351
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	4336051.cif
102021	2014-02-19	cif/ Adding structures of 4336051 via cif-deposit CGI script.	4336051.cif