Crystallography Open Database

Information card for entry 1563271

Preview

Coordinates	1563271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F2 Ga H2 I O4
Calculated formula	F2 Ga H2 I O4
Title of publication	[GaF(H2O)][IO3F]: a promising NLO material obtained by anisotropic polycation substitution
Authors of publication	Huang, Qian-Ming; Hu, Chun-Li; Yang, Bing-Ping; Fang, Zhi; Lin, Yuan; Chen, Jin; Li, Bing-Xuan; Mao, Jiang-Gao
Journal of publication	Chemical Science
Year of publication	2021
a	13.9538 ± 0.0016 Å
b	6.9261 ± 0.0009 Å
c	4.7629 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	460.31 ± 0.1 Å³
Cell temperature	294.86 ± 0.1 K
Ambient diffraction temperature	294.86 ± 0.1 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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