Crystallography Open Database

Information card for entry 4134374

Preview

Coordinates	4134374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs Cu5 Se3
Calculated formula	Cs Cu5 Se3
Title of publication	α-CsCu<sub>5</sub>Se<sub>3</sub>: Discovery of a Low-Cost Bulk Selenide with High Thermoelectric Performance.
Authors of publication	Ma, Ni; Li, Yan-Yan; Chen, Ling; Wu, Li-Ming
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	11
Pages of publication	5293 - 5303
a	13.2026 ± 0.0012 Å
b	13.2026 ± 0.0012 Å
c	4.0499 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	705.93 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
250068 (current)	2020-04-04	cif/ Updating files of 4134372, 4134373, 4134374 Original log message: Adding full bibliography for 4134372--4134374.cif.	4134374.cif
249237	2020-03-11	cif/ Adding structures of 4134374 via cif-deposit CGI script.	4134374.cif