Crystallography Open Database

Information card for entry 4314759

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Coordinates	4314759.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Barium Magnesium Fluoroborate
Formula	B12 Ba12 F12 Mg12 O36
Calculated formula	B12 Ba12 F12 Mg12 O36
Title of publication	Cation Coordination Control of Anionic Group Alignment to Maximize SHG Effects in the BaMBO3F (M = Zn, Mg) Series
Authors of publication	Ru Kang Li; Peng Chen
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1561 - 1565
a	17.614 ± 0.003 Å
b	30.546 ± 0.006 Å
c	8.0604 ± 0.0016 Å
α	90°
β	90.008 ± 0.002°
γ	90°
Cell volume	4336.8 ± 1.4 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.167
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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