Crystallography Open Database

Information card for entry 1561364

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Coordinates	1561364.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	lanthanum cadmium gallium selenide (3/1/1/7)
Chemical name	lanthanum cadmium gallium selenide (3/1/1/7)
Formula	Cd Ga La3 Se7
Calculated formula	Cd Ga La3 Se7
Title of publication	Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd)
Authors of publication	Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur
Journal of publication	Journal of Solid State Chemistry
Year of publication	2016
Journal volume	243
Pages of publication	221 - 231
a	10.606 ± 0.005 Å
b	10.606 ± 0.005 Å
c	6.38 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	621.5 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
263442 (current)	2021-03-30	cif/ Adding structures of 1561364 via cif-deposit CGI script.	1561364.cif