Crystallography Open Database

Information card for entry 7135166

Preview

Coordinates	7135166.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	KNa2Y2B2O6F3
Formula	B8 F12 K4 Na8 O24 Y8
Calculated formula	B8 F12 K4 Na8 O24 Y8
Title of publication	KNa<sub>2</sub>Y<sub>2</sub>B<sub>2</sub>O<sub>6</sub>F<sub>3</sub>: a beryllium free deep-UV nonlinear optical crystal with well-balanced properties.
Authors of publication	Zhao, Huijian; Liu, Mengru; Nan, Weina; Yang, Ning; Li, Conggang; Ye, Ning; Hu, Zhanggui
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	91
Pages of publication	17878 - 17881
a	6.674 ± 0.002 Å
b	6.674 ± 0.002 Å
c	19.991 ± 0.004 Å
α	90 ± 0.03°
β	90 ± 0.03°
γ	90 ± 0.03°
Cell volume	890.4 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.0206
Weighted residual factors for significantly intense reflections	0.0484
Weighted residual factors for all reflections included in the refinement	0.0494
Goodness-of-fit parameter for all reflections included in the refinement	1.0291
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
303257 (current)	2025-11-12	cif/ Adding structures of 7135166 via cif-deposit CGI script.	7135166.cif