Crystallography Open Database

Information card for entry 4517545

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Coordinates	4517545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	In2 Se3
Calculated formula	In2 Se3
Title of publication	Hexagonal In<sub>2</sub>Se<sub>3</sub>: A Defect Wurtzite-Type Infrared Nonlinear Optical Material with Moderate Birefringence Contributed by Unique InSe<sub>5</sub> Unit.
Authors of publication	Chi, Yang; Sun, Zong-Dong; Xu, Qian-Ting; Xue, Huai-Guo; Guo, Sheng-Ping
Journal of publication	ACS applied materials & interfaces
Year of publication	2020
a	7.1231 ± 0.0003 Å
b	7.1231 ± 0.0003 Å
c	19.3925 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	852.12 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.232
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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