Crystallography Open Database

Information card for entry 7056068

Preview

Coordinates	7056068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 Be3 F4 Li O9 Sr3
Calculated formula	B3 Be3 F4 Li O9 Sr3
SMILES	B([O-])([O-])[O-].[F-].[Li+].[Be+2].[F-].[Sr+2].[Sr+2].B([O-])([O-])[O-].[Be+2].B([O-])([O-])[O-].[F-].[Be+2].[F-].[Sr+2]
Title of publication	LiSr3Be3B3O9F4: A New Ultraviolet Nonlinear Optical Crystal for Fourth-harmonic Generation of Nd:YAG Lasers
Authors of publication	Guo, Shu; Liang, Fei; Liu, Lijuan; Xia, Mingjun; Fang, Zhi; Wu, Ruofei; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian
Journal of publication	New J. Chem.
Year of publication	2017
a	10.3062 ± 0.0015 Å
b	10.3062 ± 0.0015 Å
c	8.3458 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	767.7 ± 0.2 Å³
Cell temperature	153.15 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	6
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.0283
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
194353 (current)	2017-03-20	cif/ Adding structures of 7056068 via cif-deposit CGI script.	7056068.cif