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Geometry for Li2S (dilithium sulfide) 1A1 C2V

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

PBEPBEultrafine/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.2409   0.2409 0.0000 0.0000
Li2 0.0000 1.8936 -0.6425   -0.6425 0.0000 1.8936
Li3 0.0000 -1.8936 -0.6425   -0.6425 0.0000 -1.8936
Atom - Atom Distances (Å)
  S1 Li2 Li3
S1 2.0896 2.0896
Li2 2.0896 3.7872
Li3 2.0896 3.7872
Maximum atom distance is 3.7872Å 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 129.978

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