Crystallography Open Database

Information card for entry 4337790

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Coordinates	4337790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B7 Ba12 F4 Na O21
Calculated formula	B7 Ba12 F4 Na O21
Title of publication	Two New Barium Borate Fluorides ABa12(BO3)7F4 (A = Li and Na).
Authors of publication	Zhao, Jing; Li, R. K.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	5
Pages of publication	2501 - 2505
a	13.6443 ± 0.0009 Å
b	13.6443 ± 0.0009 Å
c	15.0214 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2796.5 ± 0.4 Å³
Cell temperature	301 K
Ambient diffraction temperature	301 K
Number of distinct elements	5
Space group number	140
Hermann-Mauguin space group symbol	I 4/m c m
Hall space group symbol	-I 4 2c
Residual factor for all reflections	0.0302
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0604
Weighted residual factors for all reflections included in the refinement	0.0607
Goodness-of-fit parameter for all reflections included in the refinement	1.182
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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