Crystallography Open Database

Information card for entry 4329513

Preview

Coordinates	4329513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 Ga Nd Se5
Calculated formula	Ba2 Ga Nd Se5
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	7.29 ± 0.0015 Å
b	8.7914 ± 0.0018 Å
c	9.47 ± 0.0019 Å
α	103.77 ± 0.03°
β	102.91 ± 0.03°
γ	107.72 ± 0.03°
Cell volume	532 ± 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	0.0468
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0627
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	0.863
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.	4329513.cif
78570	2013-04-02	cif/ Adding structures of 4329513 via cif-deposit CGI script.	4329513.cif