Crystallography Open Database

Information card for entry 4336052

Preview

Coordinates	4336052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B14 Ba2 H16 K4 O33
Calculated formula	B14 Ba2 H16 K4 O33
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	9.0768 ± 0.0003 Å
b	12.922 ± 0.0008 Å
c	13.3452 ± 0.0009 Å
α	106.889 ± 0.006°
β	95.075 ± 0.004°
γ	105.89 ± 0.004°
Cell volume	1416.32 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	4336052.cif
102022	2014-02-19	cif/ Adding structures of 4336052 via cif-deposit CGI script.	4336052.cif