Crystallography Open Database

Information card for entry 1561362

Preview

Coordinates	1561362.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	lanthanum silver gallium selenide (3/0.6/1/7)
Chemical name	lanthanum silver gallium selenide (3/0.6/1/7)
Formula	Ag0.6 Ga La3 Se7
Calculated formula	Ag0.6 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	10.5879 ± 0.0017 Å
b	10.5879 ± 0.0017 Å
c	6.3766 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	619.07 ± 0.17 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	0.0644
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
263440 (current)	2021-03-30	cif/ Adding structures of 1561362 via cif-deposit CGI script.	1561362.cif