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 (silicon pentafluoride anion) 1A1' D3H

1910171554
InChI=1S/F5Si/c1-6(2,3,4)5/q-1 INChIKey=

CCD/6-31G**


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
F2 0.0000 0.0000 1.6724   1.6724 0.0000 0.0000
F3 0.0000 1.6392 0.0000   0.0000 1.6392 0.0000
F4 1.4195 -0.8196 0.0000   0.0000 -0.8196 1.4195
F5 -1.4195 -0.8196 0.0000   0.0000 -0.8196 -1.4195
F6 0.0000 0.0000 -1.6724   -1.6724 0.0000 0.0000
Atom - Atom Distances (Å)
  Si1 F2 F3 F4 F5 F6
Si1 1.6724 1.6392 1.6392 1.6392 1.6724
F2 1.6724 2.3417 2.3417 2.3417 3.3447
F3 1.6392 2.3417 2.8391 2.8391 2.3417
F4 1.6392 2.3417 2.8391 2.8391 2.3417
F5 1.6392 2.3417 2.8391 2.8391 2.3417
F6 1.6724 3.3447 2.3417 2.3417 2.3417
Maximum atom distance is 3.3447Å between atoms F2 and F6.
picture of silicon pentafluoride anion
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Si1 F3 90.000 F2 Si1 F4 90.000
F2 Si1 F5 90.000 F2 Si1 F6 180.000
F3 Si1 F4 120.000 F3 Si1 F5 120.000
F3 Si1 F6 90.000 F4 Si1 F5 120.000
F4 Si1 F6 90.000 F5 Si1 F6 90.000

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