Crystallography Open Database

Information card for entry 7712351

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Coordinates	7712351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B15 Ca O30 Rb7 Sc2
Calculated formula	B15 Ca O30 Rb7 Sc2
Title of publication	Two non-centrosymmetric mixed alkali metal and alkaline earth metal scandium borate nonlinear optical materials with short ultraviolet cutoff edges
Authors of publication	Liu, Wenhao; Lee, Ming-Hsien; Guo, Ruixin; Yao, Jiyong
Journal of publication	Dalton Transactions
Year of publication	2023
a	13.3114 ± 0.001 Å
b	13.3114 ± 0.001 Å
c	14.5992 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	2240.3 ± 0.3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.1145
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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