Crystallography Open Database

Information card for entry 4328765

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Coordinates	4328765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B6 Ba3 F2 O11
Calculated formula	B6 Ba3 F2 O11
Title of publication	Two Novel Acentric Borate Fluorides: M3B6O11F2 (M = Sr, Ba)
Authors of publication	Colin D. McMillen; Jared T. Stritzinger; Joseph W. Kolis
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3953 - 3955
a	6.5572 ± 0.0013 Å
b	8.5107 ± 0.0017 Å
c	9.6726 ± 0.0019 Å
α	90°
β	101.21 ± 0.03°
γ	90°
Cell volume	529.49 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0402
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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