Crystallography Open Database

Information card for entry 1570792

Preview

Coordinates	1570792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Lu Na O6 Se2
Calculated formula	Lu Na O6 Se2
Title of publication	A UV non-hydrogen pure selenite nonlinear optical material for achieving balanced properties through framework-optimized structural transformation.
Authors of publication	Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang
Journal of publication	Materials horizons
Year of publication	2024
Journal volume	11
Journal issue	7
Pages of publication	1704 - 1709
a	12.718 ± 0.0005 Å
b	8.3994 ± 0.0003 Å
c	5.375 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	574.18 ± 0.04 Å³
Cell temperature	281.7 ± 0.2 K
Ambient diffraction temperature	281.7 ± 0.2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0214
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0416
Weighted residual factors for all reflections included in the refinement	0.0419
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation probe	x-ray
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
291073 (current)	2024-04-05	cif/ Updating files of 1570792 Original log message: Adding full bibliography for 1570792.cif.	1570792.cif
289116	2024-01-17	cif/ Adding structures of 1570792 via cif-deposit CGI script.	1570792.cif