Crystallography Open Database

Information card for entry 1561363

Preview

Coordinates	1561363.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	lanthanum zinc gallium selenide (3/1/1/7)
Chemical name	lanthanum zinc gallium selenide (3/1/1/7)
Formula	Ga La3 Se7 Zn
Calculated formula	Ga La3 Se7 Zn
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	10.63 ± 0.009 Å
b	10.63 ± 0.009 Å
c	6.374 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	623.7 ± 0.9 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	0.0505
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
263441 (current)	2021-03-30	cif/ Adding structures of 1561363 via cif-deposit CGI script.	1561363.cif