Crystallography Open Database

Information card for entry 7135362

Preview

Coordinates	7135362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B15 Na2.89 O30 Rb4.11 Sc2.01 Sr0.99
Calculated formula	B15 Na2.89 O30 Rb4.11 Sc2.01 Sr0.99
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	12.924 ± 0.0003 Å
b	12.924 ± 0.0003 Å
c	15.1974 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	2198.33 ± 0.1 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	0.0478
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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