Crystallography Open Database

Information card for entry 4329009

Preview

Coordinates	4329009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0.1 B0.9 Ba2 Cl1.1 O3
Calculated formula	C0.097 B0.903 Ba2 Cl1.097 O3
Title of publication	Ba2(BO3)1-x(CO3)xCl1+x: A Mixed Borate and Carbonate Chloride Crystallized from High-Temperature Solution
Authors of publication	Jing Zhao; R. K. Li
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4568 - 4571
a	5.4708 ± 0.0008 Å
b	5.4708 ± 0.0008 Å
c	10.64 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	275.79 ± 0.08 Å³
Cell temperature	153.15 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	5
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.0224
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0397
Weighted residual factors for all reflections included in the refinement	0.0401
Goodness-of-fit parameter for all reflections included in the refinement	1.151
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.	4329009.cif
78049	2013-04-01	cif/ Adding structures of 4329009 via cif-deposit CGI script.	4329009.cif