Crystallography Open Database

Information card for entry 4126819

Preview

Coordinates	4126819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B15 Gd2.5 K7.5 O30
Calculated formula	B15 Gd2.5 K7.5 O30
Title of publication	Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.
Authors of publication	Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	13.265 ± 0.006 Å
b	13.265 ± 0.008 Å
c	15.282 ± 0.014 Å
α	90°
β	90°
γ	120°
Cell volume	2329 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0223
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0437
Weighted residual factors for all reflections included in the refinement	0.0445
Goodness-of-fit parameter for all reflections included in the refinement	1.0298
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
278046 (current)	2022-09-21	cod/ Updated space group information using the 'cif_filter' program.	4126819.cif
204049	2017-12-08	cif/ Adding structures of 4126819 via cif-deposit CGI script.	4126819.cif