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Geometry for AlF3 (Aluminum trifluoride) 1A1' D3H

1910171554
InChI=1S/Al.3FH/h;3*1H/q+3;;;/p-3 INChIKey=KLZUFWVZNOTSEM-UHFFFAOYSA-K

PBEPBEultrafine/aug-cc-pVDZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Al1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
F2 0.0000 1.6728 0.0000   -0.3843 1.6280 0.0000
F3 1.4487 -0.8364 0.0000   1.6021 -0.4812 0.0000
F4 -1.4487 -0.8364 0.0000   -1.2178 -1.1469 0.0000
Atom - Atom Distances (Å)
  Al1 F2 F3 F4
Al1 1.6728 1.6728 1.6728
F2 1.6728 2.8974 2.8974
F3 1.6728 2.8974 2.8974
F4 1.6728 2.8974 2.8974
Maximum atom distance is 2.8974Å between atoms F2 and F3.
picture of Aluminum trifluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Al1 F3 120.000 F2 Al1 F4 120.000
F3 Al1 F4 120.000

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