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 > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for GaF3 (Gallium trifluoride) 1A1' D3H

1910171554
InChI=1S/3FH.Ga/h3*1H;/q;;;+3/p-3 INChIKey=WXXZSFJVAMRMPV-UHFFFAOYSA-K

QCISD(T)/6-31G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Ga1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
F2 0.0000 1.7444 0.0000   -0.2533 1.7259 0.0000
F3 1.5107 -0.8722 0.0000   1.6213 -0.6436 0.0000
F4 -1.5107 -0.8722 0.0000   -1.3680 -1.0823 0.0000
Atom - Atom Distances (Å)
  Ga1 F2 F3 F4
Ga1 1.7444 1.7444 1.7444
F2 1.7444 3.0214 3.0214
F3 1.7444 3.0214 3.0214
F4 1.7444 3.0214 3.0214
Maximum atom distance is 3.0214Å between atoms F3 and F4.
picture of Gallium trifluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Ga1 F3 120.000 F2 Ga1 F4 120.000
F3 Ga1 F4 120.000

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.