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Geometry for Li2S (dilithium sulfide) 1Σg D*H

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

B3LYPultrafine/cc-pV(T+d)Z


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
S1 0.0000 0.0000 0.0000
Li2 0.0000 0.0000 2.0748
Li3 0.0000 0.0000 -2.0748
Atom - Atom Distances (Å)
  S1 Li2 Li3
S1 2.0748 2.0748
Li2 2.0748 4.1496
Li3 2.0748 4.1496
Maximum atom distance is 4.1496Å between atoms Li2 and Li3.
picture of dilithium sulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Li2 S1 Li3 180.000

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