Crystallography Open Database

Information card for entry 4329523

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Coordinates	4329523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 Er In Se5
Calculated formula	Ba2 Er In 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	4.2345 ± 0.0008 Å
b	18.723 ± 0.004 Å
c	13.255 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1050.9 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	0.758
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.	4329523.cif
78580	2013-04-02	cif/ Adding structures of 4329523 via cif-deposit CGI script.	4329523.cif