Crystallography Open Database

Information card for entry 4103070

Preview

Coordinates	4103070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B5 I O9 Pb2
Calculated formula	B5 I O9 Pb2
Title of publication	Pb2B5O9I: An Iodide Borate with Strong Second Harmonic Generation
Authors of publication	Yi-Zhi Huang; Li-Ming Wu; Xin-Tao Wu; Long-Hua Li; Ling Chen; Yong-Fan Zhang
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	12788 - 12789
a	11.561 ± 0.004 Å
b	11.7 ± 0.004 Å
c	6.524 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	882.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	34
Hermann-Mauguin space group symbol	P n n 2
Hall space group symbol	P 2 -2n
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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