Crystallography Open Database

Information card for entry 4002707

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Coordinates	4002707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs In Se6 Sn2
Calculated formula	Cs In0.99 Se6 Sn2.01
Title of publication	Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit
Authors of publication	Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming
Journal of publication	Chemistry of Materials
Year of publication	2017
Journal volume	29
Journal issue	2
Pages of publication	499
a	10.652 ± 0.0005 Å
b	10.652 ± 0.0005 Å
c	9.6882 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	952 ± 0.1 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	0.0193
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0335
Weighted residual factors for all reflections included in the refinement	0.0336
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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