Crystallography Open Database

Information card for entry 7233642

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Coordinates	7233642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B6 F2 O11 Pb3
Calculated formula	B6 F2 O11 Pb3
Title of publication	Pb3B6O11F2: the first non-centrosymmetric lead borate fluoride with a large second harmonic generation response
Authors of publication	Hongyi Li; Hongping Wu; Xin Su; Hongwei Yu; Shilie Pan; Zhihua Yang; Yi Lu; Jian Han; Kenneth R. Poeppelmeier
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	1704 - 1710
a	6.4274 ± 0.0013 Å
b	8.3282 ± 0.0017 Å
c	9.4891 ± 0.0019 Å
α	90°
β	101.19 ± 0.03°
γ	90°
Cell volume	498.28 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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