Crystallography Open Database

Information card for entry 4003920

Preview

Coordinates	4003920.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	KSb5S8
Formula	K2 S16 Sb10
Calculated formula	K2 S16 Sb10
Title of publication	ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation
Authors of publication	Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong
Journal of publication	Chemistry of Materials
Year of publication	2021
Journal volume	33
Journal issue	10
Pages of publication	3729 - 3735
a	8.1305 ± 0.0002 Å
b	19.48 ± 0.0005 Å
c	9.0508 ± 0.0002 Å
α	90°
β	91.955 ± 0.002°
γ	90°
Cell volume	1432.65 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0194
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0458
Weighted residual factors for all reflections included in the refinement	0.0459
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
265754 (current)	2021-06-04	cif/ Updating files of 4003920, 4003921, 4003922 Original log message: Adding full bibliography for 4003920--4003922.cif.	4003920.cif
265108	2021-05-12	cif/ Adding structures of 4003920 via cif-deposit CGI script.	4003920.cif