Crystallography Open Database

Information card for entry 4341429

Preview

Coordinates	4341429.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	sodium_copper_selenide(1_6_4)
Formula	Cu5.67 Na Se4
Calculated formula	Cu5.76 Na Se4
Title of publication	NaCu6Se4: A Layered Compound with Mixed Valency and Metallic Properties
Authors of publication	Sturza, Mihai; Malliakas, Christos D.; Bugaris, Daniel E.; Han, Fei; Chung, Duck Young; Kanatzidis, Mercouri G.
Journal of publication	Inorganic Chemistry
Year of publication	2014
Pages of publication	141031160814003
a	4.0465 ± 0.0003 Å
b	4.0465 ± 0.0003 Å
c	41.493 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	588.39 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1539
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4341429.html