Crystallography Open Database

Information card for entry 7042981

Preview

Coordinates	7042981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	In Rb Se6 Sn2
Calculated formula	In0.99 Rb Se6 Sn2.01
Title of publication	Two excellent phase-matchable infrared nonlinear-optical materials based on the 3D diamond-like frameworks: RbGaSn2Se6 and RbInSn2Se6
Authors of publication	Lin, Hua; Chen, Hong; Zheng, Yu-Jun; Yu, Ju-Song; Wu, Xin-Tao; Wu, Li-Ming
Journal of publication	Dalton Trans.
Year of publication	2017
a	10.6044 ± 0.0008 Å
b	10.6044 ± 0.0008 Å
c	9.66 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	940.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0487
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7042981.html