Crystallography Open Database

Information card for entry 1549422

Preview

Coordinates	1549422.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Na2Ga2SnSSe5
Formula	Ga2 Na2 S Se5 Sn
Calculated formula	Ga2 Na2 S Se5 Sn
Title of publication	New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.
Authors of publication	Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	26
Pages of publication	5700 - 5708
a	13.264 ± 0.004 Å
b	23.936 ± 0.007 Å
c	7.514 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2385.6 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.504
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
228706 (current)	2019-11-17	cif/ Updating files of 1549419, 1549420, 1549421, 1549422 Original log message: Adding full bibliography for 1549419--1549422.cif.	1549422.cif
207806	2018-05-16	cif/ Adding structures of 1549419, 1549420, 1549421, 1549422 via cif-deposit CGI script.	1549422.cif