Crystallography Open Database

Information card for entry 7060769

Preview

Coordinates	7060769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Na4 Se4 Sn
Calculated formula	Na4 Se4 Sn
Title of publication	Na4SnS4 and Na4SnSe4 exhibiting multifunctional physicochemical performances as potential infrared nonlinear optical crystals and sodium ion conductors
Authors of publication	Gao, Lihua; Bian, Gang; Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	28
Pages of publication	12362 - 12366
a	8.1674 ± 0.0007 Å
b	8.1674 ± 0.0007 Å
c	7.2665 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	484.72 ± 0.1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0225
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0414
Weighted residual factors for all reflections included in the refinement	0.0419
Goodness-of-fit parameter for all reflections included in the refinement	0.933
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
268839 (current)	2021-09-06	cif/ Updating files of 7060769, 7060770 Original log message: Adding full bibliography for 7060769--7060770.cif.	7060769.cif
266661	2021-06-24	cif/ Adding structures of 7060769, 7060770 via cif-deposit CGI script.	7060769.cif