Crystallography Open Database

Information card for entry 1567668

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Coordinates	1567668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga2 S4 Sr
Calculated formula	Ga2 S4 Sr
Title of publication	Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties
Authors of publication	Yang, He-Di; Ran, Mao-Yin; Zhou, Sheng-Hua; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	36
Pages of publication	10725 - 10733
a	12.2216 ± 0.0005 Å
b	20.5008 ± 0.0009 Å
c	20.8426 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5222.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0591
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	1.174
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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