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Geometry for AlFCl2 (Aluminum dichloride fluoride) 1A1 C2V

1910171554
InChI=1S/Al.2ClH.FH/h;3*1H/q+3;;;/p-3 INChIKey=JNGNDYHADNWZFG-UHFFFAOYSA-K

B3PW91/6-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Al1 0.0000 0.0000 0.3659   0.3659 0.0000 0.0000
F2 0.0000 0.0000 2.0614   2.0614 0.0000 0.0000
Cl3 0.0000 1.8867 -0.6855   -0.6855 0.0000 1.8867
Cl4 0.0000 -1.8867 -0.6855   -0.6855 0.0000 -1.8867
Atom - Atom Distances (Å)
  Al1 F2 Cl3 Cl4
Al1 1.6955 2.1599 2.1599
F2 1.6955 3.3324 3.3324
Cl3 2.1599 3.3324 3.7734
Cl4 2.1599 3.3324 3.7734
Maximum atom distance is 3.7734Å between atoms Cl3 and Cl4.
picture of Aluminum dichloride fluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Al1 Cl3 119.130 F2 Al1 Cl4 119.130
Cl3 Al1 Cl4 121.741

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