Crystallography Open Database

Information card for entry 4002674

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Coordinates	4002674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B5 Be2 F O12 Sr3
Calculated formula	B4.68 Be2.32 F1.32 O11.68 Sr3
Title of publication	A Deep-Ultraviolet Nonlinear Optical Crystal: Strontium Beryllium Borate Fluoride with Planar Be(O/F)3Groups
Authors of publication	Yu, Na; Wang, Shichao; Ye, Ning; Liang, Fei; Lin, Zheshuai; Luo, Min; Poeppelmeier, Kenneth R.
Journal of publication	Chemistry of Materials
Year of publication	2016
Journal volume	28
Journal issue	13
Pages of publication	4563
a	10.3179 ± 0.0011 Å
b	10.3179 ± 0.0011 Å
c	8.3958 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	774.06 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.0156
Residual factor for significantly intense reflections	0.0156
Weighted residual factors for significantly intense reflections	0.037
Weighted residual factors for all reflections included in the refinement	0.037
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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