Crystallography Open Database

Information card for entry 7063253

Preview

Coordinates	7063253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag0.43 Ba Cu1.57 Se2
Calculated formula	Ag0.429 Ba Cu1.571 Se2
Title of publication	Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties
Authors of publication	Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	24
Pages of publication	11129 - 11139
a	9.7849 ± 0.0006 Å
b	4.2614 ± 0.0003 Å
c	10.9321 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	455.84 ± 0.05 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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
293183 (current)	2024-07-05	cif/ Updating files of 7063250, 7063251, 7063252, 7063253, 7063254 Original log message: Adding full bibliography for 7063250--7063254.cif.	7063253.cif
292217	2024-06-06	cif/ Adding structures of 7063250, 7063251, 7063252, 7063253, 7063254 via cif-deposit CGI script.	7063253.cif