return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for Li2O (dilithium oxide) 1Σg D*H

1910171554
InChI=1S/2Li.O INChIKey=XZIUWXMPQBQHMC-UHFFFAOYSA-N

CCD/3-21G*


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
O1 0.0000 0.0000 0.0000
Li2 0.0000 0.0000 1.6111
Li3 0.0000 0.0000 -1.6111
Atom - Atom Distances (Å)
  O1 Li2 Li3
O1 1.6111 1.6111
Li2 1.6111 3.2222
Li3 1.6111 3.2222
Maximum atom distance is 3.2222Å between atoms Li2 and Li3.
picture of dilithium oxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Li2 O1 Li3 180.000

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