Crystallography Open Database

Information card for entry 1572534

Preview

Coordinates	1572534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 K2 La2 Na O9
Calculated formula	B3 K2 La2 Na O9
Title of publication	A-site cations manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates
Authors of publication	Song, Jie; Zhao, Huijian; Li, Conggang; Ye, Ning; Hu, Zhanggui; Wu, Yicheng
Journal of publication	Chemical Science
Year of publication	2024
a	5.1775 ± 0.0004 Å
b	11.4157 ± 0.001 Å
c	7.2715 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	429.78 ± 0.06 Å³
Cell temperature	297 K
Ambient diffraction temperature	297 K
Number of distinct elements	5
Space group number	38
Hermann-Mauguin space group symbol	A m m 2
Hall space group symbol	A 2 -2
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1572534.html