Crystallography Open Database

Information card for entry 7207921

7207920 << 7207921 >> 7207922

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Coordinates	7207921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B6 Ba3 F2 O11
Calculated formula	B6 Ba3 F2 O11
Title of publication	A novel deep UV nonlinear optical crystal Ba3B6O11F2, with a new fundamental building block, B6O14 group
Authors of publication	Yu, Hongwei; Wu, Hongping; Pan, Shilie; Yang, Zhihua; Su, Xin; Zhang, Fangfang
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	19
Pages of publication	9665
a	6.5672 ± 0.0004 Å
b	8.5035 ± 0.0006 Å
c	9.6637 ± 0.0006 Å
α	90°
β	101.351 ± 0.004°
γ	90°
Cell volume	529.11 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0637
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	No
Has F_obs	No

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