Crystallography Open Database

Information card for entry 7719916

7719915 << 7719916 >> 7719917

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Coordinates	7719916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al2 B3 Ba3 Li O11
Calculated formula	Al2 B3 Ba3 Li O11
Title of publication	LiBa<sub>3</sub>Al<sub>2</sub>B<sub>3</sub>O<sub>11</sub>: a deep-ultraviolet transparent optical borate featuring a 2D [Al<sub>2</sub>B<sub>3</sub>O<sub>11</sub>]<sub>∞</sub> layered structure.
Authors of publication	Shang, Shuangyue; Liu, Fan; Kang, Lei; Wu, Tong; Huang, Tianhong; Liu, Lijuan; Wang, Xiaoyang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
a	6.5729 ± 0.0003 Å
b	17.5252 ± 0.0007 Å
c	9.6851 ± 0.0004 Å
α	90°
β	100.653 ± 0.001°
γ	90°
Cell volume	1096.41 ± 0.08 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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