Crystallography Open Database

Information card for entry 1568128

Preview

Coordinates	1568128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cd Rb2 S10 Si4
Calculated formula	Cd Rb2 S10 Si4
Title of publication	Rb<sub>2</sub>CdSi<sub>4</sub>S<sub>10</sub>: novel [Si<sub>4</sub>S<sub>10</sub>] T2-supertetrahedra-contained infrared nonlinear optical material with large band gap.
Authors of publication	Zhou, Jiazheng; Fan, Zhongxu; Zhang, Kewang; Yang, Zhihua; Pan, Shilie; Li, Junjie
Journal of publication	Materials horizons
Year of publication	2023
Journal volume	10
Journal issue	2
Pages of publication	619 - 624
a	18.6378 ± 0.0006 Å
b	9.1309 ± 0.0003 Å
c	10.6136 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1806.22 ± 0.1 Å³
Cell temperature	303 K
Ambient diffraction temperature	303 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0331
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.0638
Goodness-of-fit parameter for all reflections included in the refinement	0.9
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
281620 (current)	2023-03-04	cif/ Updating files of 1568128 Original log message: Adding full bibliography for 1568128.cif.	1568128.cif
279898	2022-12-15	cif/ Adding structures of 1568128 via cif-deposit CGI script.	1568128.cif