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Geometry for PF5 (Phosphorus pentafluoride) 1A1' D3H

1910171554
InChI=1S/F5P/c1-6(2,3,4)5 INChIKey=OBCUTHMOOONNBS-UHFFFAOYSA-N

PBEPBEultrafine/aug-cc-pVTZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
F2 0.0000 1.5755 0.0000   0.0000 -1.1141 1.1141
F3 1.3644 -0.7878 0.0000   0.0000 1.5218 0.4078
F4 -1.3644 -0.7878 0.0000   0.0000 -0.4078 -1.5218
F5 0.0000 0.0000 1.6109   1.6109 0.0000 0.0000
F6 0.0000 0.0000 -1.6109   -1.6109 0.0000 0.0000
Atom - Atom Distances (Å)
  P1 F2 F3 F4 F5 F6
P1 1.5755 1.5755 1.5755 1.6109 1.6109
F2 1.5755 2.7289 2.7289 2.2532 2.2532
F3 1.5755 2.7289 2.7289 2.2532 2.2532
F4 1.5755 2.7289 2.7289 2.2532 2.2532
F5 1.6109 2.2532 2.2532 2.2532 3.2217
F6 1.6109 2.2532 2.2532 2.2532 3.2217
Maximum atom distance is 3.2217Å between atoms F5 and F6.
picture of Phosphorus pentafluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 P1 F3 120.000 F2 P1 F4 120.000
F2 P1 F5 90.000 F2 P1 F6 90.000
F3 P1 F4 120.000 F3 P1 F5 90.000
F3 P1 F6 90.000 F4 P1 F5 90.000
F4 P1 F6 90.000 F5 P1 F6 180.000

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