Crystallography Open Database

Information card for entry 7042303

Preview

Coordinates	7042303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B10 Ba4 Br F2 Na O18
Calculated formula	B10 Ba4 Br F2 Na O18
Title of publication	The structural diversity of halogen-centered secondary building units: two new mixed-metal borate halides with deep-ultraviolet cut-off edges.
Authors of publication	Mutailipu, Miriding; Zhang, Min; Chen, Yanna; Lu, Xiaoquan; Pan, Shilie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	15
Pages of publication	4923 - 4928
a	6.7401 ± 0.0009 Å
b	11.4787 ± 0.0015 Å
c	11.5013 ± 0.0015 Å
α	90°
β	91.862 ± 0.009°
γ	90°
Cell volume	889.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0264
Residual factor for significantly intense reflections	0.0221
Weighted residual factors for significantly intense reflections	0.0464
Weighted residual factors for all reflections included in the refinement	0.0478
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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