Crystallography Open Database

Information card for entry 4002930

Preview

Coordinates	4002930.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	sodium zinc zntimonide
Chemical name	sodium zinc zntimonide
Formula	Na1.27 Sb4 Zn5.15
Calculated formula	Na1.27083 Sb4 Zn5.15367
Title of publication	From NaZn4Sb3 to HT-Na1‒xZn4‒ySb3: Panoramic Hydride Synthesis, Structural Diversity, and Thermoelectric Properties
Authors of publication	Gvozdetskyi, Volodymyr; Owens-Baird, Bryan; Hong, Sangki; Cox, Tori; Bhaskar, Gourab; Harmer, Colin; Sun, Yang; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Zaikina, Julia V.
Journal of publication	Chemistry of Materials
Year of publication	2019
a	19.508 ± 0.003 Å
b	14.708 ± 0.003 Å
c	20.736 ± 0.004 Å
α	90°
β	90.402 ± 0.005°
γ	90°
Cell volume	5949.5 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
219553 (current)	2019-10-28	cif/ Adding structures of 4002930 via cif-deposit CGI script.	4002930.cif