Crystallography Open Database

Information card for entry 4329223

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Coordinates	4329223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	In2 Li2 S6 Si
Calculated formula	In2 Li2 S6 Si
Title of publication	Synthesis, Structure, and Properties of Li2In2MQ6 (M = Si, Ge; Q = S, Se): A New Series of IR Nonlinear Optical Materials
Authors of publication	Wenlong Yin; Kai Feng; Wenyu Hao; Jiyong Yao; Yicheng Wu
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5839 - 5843
a	12.0741 ± 0.0011 Å
b	7.0221 ± 0.0005 Å
c	12.0802 ± 0.0009 Å
α	90°
β	110.06 ± 0.005°
γ	90°
Cell volume	962.09 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.01
Residual factor for significantly intense reflections	0.0098
Weighted residual factors for significantly intense reflections	0.023
Weighted residual factors for all reflections included in the refinement	0.0231
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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