Crystallography Open Database

Information card for entry 7135363

Preview

Coordinates	7135363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B15 Na4.01 O30 Rb2.99 Sc2.22 Sr0.78
Calculated formula	B15 Na4.003 O30 Rb2.997 Sc2.21 Sr0.79
Title of publication	Two scandium borate UV NLO crystals designed through chemical element substitution.
Authors of publication	Liu, Zelong; Zhao, Huijian; Xu, Longyun; Jia, Ning; Ye, Ning; Hu, Zhanggui; Li, Conggang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2026
Journal volume	62
Journal issue	15
Pages of publication	4610 - 4614
a	12.8969 ± 0.0013 Å
b	12.8969 ± 0.0013 Å
c	14.891 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	2145 ± 0.4 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
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	0.0962
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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