return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Experimental > Experimental Geometries OR Experimental > Geometry > Experimental Geometries

Listing of experimental geometry data for GaF3 (Gallium trifluoride)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
0.19880 0.19880 0.09940
Rotational Constants from
Calculated rotational constants for GaF3 (Gallium trifluoride).

Point Group D3h

Internal coordinates

(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rFGa 1.725 1 2 1992Kuchitsu(II/21)
picture of Gallium trifluoride

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
F-Ga 3
Atom x (Å) y (Å) z (Å)
Ga1 0.0000 0.0000 0.0000
F2 0.0000 1.7250 0.0000
F3 1.4939 -0.8625 0.0000
F4 -1.4939 -0.8625 0.0000

Atom - Atom Distances (Å)
  Ga1 F2 F3 F4
Ga11.72501.72501.7250
F21.72502.98782.9878
F31.72502.98782.9878
F41.72502.98782.9878

Calculated geometries for GaF3 (Gallium trifluoride).
References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.
squib reference DOI
1992Kuchitsu(II/21) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992.  

Got a better number? Please email us at cccbdb@nist.gov


Browse
PreviousNext