Crystallography Open Database

Information card for entry 7700713

Preview

Coordinates	7700713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 I3 O13 Pb10
Calculated formula	B3 I3 O13 Pb10
Title of publication	Pb<sub>10</sub>O<sub>4</sub>(BO<sub>3</sub>)<sub>3</sub>I<sub>3</sub>: a new noncentrosymmetric oxyborate iodide synthesized by the straightforward hydrothermal method.
Authors of publication	Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wu, Yicheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	40
Pages of publication	14996 - 15001
a	16.6423 ± 0.0005 Å
b	9.0277 ± 0.0003 Å
c	16.9746 ± 0.0005 Å
α	90°
β	115.658 ± 0.001°
γ	90°
Cell volume	2298.82 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0261
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.0559
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224243 (current)	2019-11-08	cif/ Updating files of 7700713 Original log message: Adding full bibliography for 7700713.cif.	7700713.cif
217361	2019-08-02	cif/ Adding structures of 7700713 via cif-deposit CGI script.	7700713.cif