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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

mPW1PW91/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Al1 0.0000 0.0000 0.3529   0.3529 0.0000 0.0000
F2 0.0000 0.0000 1.9838   1.9838 0.0000 0.0000
Cl3 0.0000 1.8032 -0.6601   -0.6601 0.0000 1.8032
Cl4 0.0000 -1.8032 -0.6601   -0.6601 0.0000 -1.8032
Atom - Atom Distances (Å)
  Al1 F2 Cl3 Cl4
Al1 1.6309 2.0683 2.0683
F2 1.6309 3.2003 3.2003
Cl3 2.0683 3.2003 3.6065
Cl4 2.0683 3.2003 3.6065
Maximum atom distance is 3.6065Å 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 119.325 F2 Al1 Cl4 119.325
Cl3 Al1 Cl4 121.351

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