Crystallography Open Database

Information card for entry 4324556

Preview

Coordinates	4324556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 Ge O9 Rb2
Calculated formula	B4 Ge O9 Rb2
Title of publication	New Second-Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical Study
Authors of publication	Jian-Han Zhang; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1973 - 1982
a	6.611 ± 0.004 Å
b	9.95 ± 0.005 Å
c	13.216 ± 0.007 Å
α	90°
β	90.38 ± 0.007°
γ	90°
Cell volume	869.3 ± 0.8 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	0.0677
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4324556.html