Crystallography Open Database

Information card for entry 1571332

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Coordinates	1571332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Ga6 Mg6 Se16
Calculated formula	Ba Ga6 Mg6 Se16
Title of publication	Wide band gap selenide infrared nonlinear optical materials A<sup>II</sup>Mg<sub>6</sub>Ga<sub>6</sub>Se<sub>16</sub> with strong SHG responses and high laser-induced damage thresholds.
Authors of publication	Wang, Linan; Chu, Dongdong; Yang, Zhihua; Li, Junjie; Pan, Shilie
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	17
Pages of publication	6577 - 6582
a	17.7326 ± 0.0006 Å
b	17.7326 ± 0.0006 Å
c	7.7899 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	2121.33 ± 0.13 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	4
Space group number	174
Hermann-Mauguin space group symbol	P -6
Hall space group symbol	P -6
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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