Crystallography Open Database

Information card for entry 2242045

2242044 << 2242045 >> 2242046

Preview

Structure parameters

Common name	Lithium gallium borate
Chemical name	Trilithium gallium bis(orthoborate)
Formula	B2 Ga Li3 O6
Calculated formula	B2 Ga Li3 O6
SMILES	[Ga]12(OB([O-])[O-])OB([O-])O[Ga](OB(O1)[O-])OB([O-])O[Ga]1(OB([O-])[O-])OB([O-])O[Ga](OB(O2)[O-])OB([O-])O1.[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+]
Title of publication	Crystal structure of Li~3~Ga(BO~3~)~2~
Authors of publication	Smith, Robert W.; Holman, Darien; Villa, Eric M.
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	3
Pages of publication	456 - 458
a	4.8731 ± 0.0003 Å
b	6.2429 ± 0.0004 Å
c	8.013 ± 0.0005 Å
α	73.346 ± 0.006°
β	89.701 ± 0.005°
γ	89.698 ± 0.005°
Cell volume	233.54 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
192758 (current)	2017-03-02	cif/ hkl/ Adding structures of 2242045 via cif-deposit CGI script.	2242045.cif 2242045.hkl