Crystallography Open Database

Information card for entry 1560711

Preview

Coordinates	1560711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag4 Ba5 Se12 U2.5
Calculated formula	Ag4 Ba5 Se12 U2.5
Title of publication	Syntheses, modulated crystal structures of Ba6−2xU2+xAg4Se12 (x = 0 and 0.5), and crystal structure and spectroscopy of Sr4Th2.78Cu4S12
Authors of publication	Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Malliakas, Christos D.; Lebègue, Sébastien; Ibers, James A.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	268
Pages of publication	30 - 35
a	4.3496 ± 0.0002 Å
b	13.9735 ± 0.0007 Å
c	10.562 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	641.95 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1613
Weighted residual factors for all reflections included in the refinement	0.1708
Goodness-of-fit parameter for significantly intense reflections	4.32
Goodness-of-fit parameter for all reflections included in the refinement	3.88
Diffraction radiation probe	x-ray
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
262306 (current)	2021-02-27	cif/ Adding structures of 1560711 via cif-deposit CGI script.	1560711.cif