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Geometry for LiO2 (Lithium dioxide) 1A1 C2V

1910171554
InChI=1S/Li.2O INChIKey=

TPSSh/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Li1 0.0000 0.0000 1.3784   1.3784 0.0000 0.0000
O2 0.0000 0.6792 -0.2584   -0.2584 0.6792 0.0000
O3 0.0000 -0.6792 -0.2584   -0.2584 -0.6792 0.0000
Atom - Atom Distances (Å)
  Li1 O2 O3
Li1 1.7722 1.7722
O2 1.7722 1.3585
O3 1.7722 1.3585
Maximum atom distance is 1.7722Å between atoms Li1 and O2.
picture of Lithium dioxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Li1 O2 O3 67.463 Li1 O3 O2 67.463
O2 Li1 O3 45.073

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