Crystallography Open Database

Information card for entry 7057546

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Coordinates	7057546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 Ba Li O9 Zn3
Calculated formula	B3 Ba Li O9 Zn3
Title of publication	BaLiZn3(BO3)3: a new member of the KBe2BO3F2 family possessing dense BO3 triangles and the smallest interlayer distance
Authors of publication	Chen, Yanna; Zhang, Min; Pan, Shilie
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	15
Pages of publication	12365
a	6.583 ± 0.004 Å
b	4.933 ± 0.003 Å
c	12.34 ± 0.008 Å
α	90°
β	90.968 ± 0.007°
γ	90°
Cell volume	400.7 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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