Crystallography Open Database

Information card for entry 7134192

Preview

Coordinates	7134192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2.5 Ba0.17 Lu0.33 O5 Rb1.17
Calculated formula	B2.5 Ba0.166667 Lu0.333333 O5 Rb1.16667
Title of publication	Designing rare earth borates as UV nonlinear optical crystals exhibiting strong second-harmonic generation responses.
Authors of publication	Liu, Mengru; Kong, Xianghao; Li, Shuaifeng; Ye, Ning; Hu, Zhanggui; Wu, Yicheng; Li, Conggang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	15
Pages of publication	3155 - 3158
a	13.5347 ± 0.0008 Å
b	13.5347 ± 0.0008 Å
c	15.719 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	2493.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
298062 (current)	2025-03-04	cif/ Updating files of 7134191, 7134192 Original log message: Adding full bibliography for 7134191--7134192.cif.	7134192.cif
297422	2025-01-23	cif/ Adding structures of 7134191, 7134192 via cif-deposit CGI script.	7134192.cif