Crystallography Open Database

Information card for entry 1100933

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Coordinates	1100933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 La0.72 O12 Sc2.71 Y0.57
Calculated formula	B4 La0.72 O12 Sc2.7099 Y0.5701
Title of publication	Nonlinear Optical Crystal Y~x~La~y~Sc~z~(BO~3~)~4~ (x + y + z = 4)
Authors of publication	Ye, Ning; Stone-Sundberg, Jennifer L.; Hruschka, Michael A.; Aka, Gerard; Kong, Wei; Keszler, Douglas A.
Journal of publication	Chemistry of Materials
Year of publication	2005
Journal volume	17
Journal issue	10
Pages of publication	2687 - 2692
a	9.7739 ± 0.001 Å
b	9.7739 ± 0.001 Å
c	7.9456 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	657.34 ± 0.15 Å³
Cell temperature	298 ± 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 significantly intense reflections	0.0296
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Duplicate of	4000502
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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