Crystallography Open Database

Information card for entry 4329512

Preview

Coordinates	4329512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 Ga Se5 Y
Calculated formula	Ba2 Ga Se5 Y
Title of publication	Syntheses, Structures, Optical and Magnetic Properties of Ba2MLnSe5 (M = Ga, In; Ln= Y, Nd, Sm, Gd, Dy, Er)
Authors of publication	Wenlong Yin; Kai Feng; Wendong Wang; Youguo Shi; Wenyu Hao; Jiyong Yao; Yicheng Wu
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6860 - 6867
a	7.2876 ± 0.0015 Å
b	8.6597 ± 0.0017 Å
c	9.3876 ± 0.0019 Å
α	103.51 ± 0.03°
β	103.04 ± 0.03°
γ	107.43 ± 0.03°
Cell volume	520.9 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.07
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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
179398 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/95.	4329512.cif
78569	2013-04-02	cif/ Adding structures of 4329512 via cif-deposit CGI script.	4329512.cif