Crystallography Open Database

Information card for entry 4348365

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Coordinates	4348365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0 H3 B6 Bi3 O15
Calculated formula	B6 Bi3 H3 O15
Title of publication	An outstanding second-harmonic generation material BiB2O4F: exploiting the electron-withdrawing ability of fluorine
Authors of publication	Cong, Rihong; Wang, Ying; Kang, Lei; Zhou, Zhengyang; Lin, Zheshuai; Yang, Tao
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	2
Pages of publication	170
a	6.62214 ± 0.0001 Å
b	6.62214 ± 0.0001 Å
c	6.65264 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	252.651 ± 0.007 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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