Crystallography Open Database

Information card for entry 1566786

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Coordinates	1566786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O S6 Sn2 Sr2 Zn
Calculated formula	O S6 Sn2 Sr2 Zn
Title of publication	Rational Design of a Promising Oxychalcogenide Infrared Nonlinear Optical Crystal
Authors of publication	Cheng, Yansong; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng
Journal of publication	Chemical Science
Year of publication	2022
a	9.664 Å
b	9.664 Å
c	6.33 Å
α	90°
β	90°
γ	90°
Cell volume	591.177 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	5
Space group number	113
Hermann-Mauguin space group symbol	P -4 21 m
Hall space group symbol	P -4 2ab
Residual factor for all reflections	0.0243
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0346
Weighted residual factors for all reflections included in the refinement	0.0357
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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