Crystallography Open Database

Information card for entry 4128441

Preview

Coordinates	4128441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2 Li2 Na2 O5
Calculated formula	B2 Li2 Na2 O5
SMILES	B([O-])([O-])OB([O-])[O-].[Na+].[Na+].[Li+].[Li+]
Title of publication	Rational Design via Synergistic Combination Leads to an Outstanding Deep-Ultraviolet Birefringent Li<sub>2</sub>Na<sub>2</sub>B<sub>2</sub>O<sub>5</sub> Material with an Unvalued B<sub>2</sub>O<sub>5</sub> Functional Gene.
Authors of publication	Zhang, Min; An, Donghai; Hu, Cong; Chen, Xinglong; Yang, Zhihua; Pan, Shilie
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	7
Pages of publication	3258 - 3264
a	3.313 ± 0.002 Å
b	9.985 ± 0.006 Å
c	13.4 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	443.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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
221545 (current)	2019-11-03	cif/ Adding structures of 4128441 via cif-deposit CGI script.	4128441.cif