Crystallography Open Database

Information card for entry 7235016

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Coordinates	7235016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B10 Ba3 H5 Li O21
Calculated formula	B10 Ba3 H4.98 Li O20.99
Title of publication	Alkali metal-alkaline earth metal borate crystal LiBa3(OH)(B9O16)[B(OH)4] as a new deep-UV nonlinear optical material
Authors of publication	Chao Wu; Junling Song; Longhua Li; Mark G. Humphrey; Chi Zhang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	8189 - 8196
a	10.1984 ± 0.0003 Å
b	10.1984 ± 0.0003 Å
c	8.7126 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	784.77 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0214
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0455
Weighted residual factors for all reflections included in the refinement	0.0456
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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