Crystallography Open Database

Information card for entry 4327180

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Coordinates	4327180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi2 I4 O13
Calculated formula	Bi2 I4 O13
Title of publication	Bi2(IO4)(IO3)3: A New Potential Infrared Nonlinear Optical Material Containing [IO4]3- Anion
Authors of publication	Zhenbo Cao; Yinchao Yue; Jiyong Yao; Zheshuai Lin; Ran He; Zhanggui Hu
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	12818 - 12822
a	5.6831 ± 0.0011 Å
b	12.394 ± 0.003 Å
c	16.849 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1186.8 ± 0.4 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.0546
Goodness-of-fit parameter for all reflections included in the refinement	0.567
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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