Crystallography Open Database

Information card for entry 1560712

Preview

Coordinates	1560712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag4 Ba6 Se12 U2
Calculated formula	Ag4 Ba6 Se12 U2
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	4.4084 ± 0.0002 Å
b	13.9459 ± 0.0007 Å
c	10.5601 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	649.23 ± 0.06 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	0.1111
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1093
Goodness-of-fit parameter for significantly intense reflections	2.07
Goodness-of-fit parameter for all reflections included in the refinement	1.82
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
262307 (current)	2021-02-27	cif/ Adding structures of 1560712 via cif-deposit CGI script.	1560712.cif