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 Na2S (Sodium sulfide) 1A1 C2V

1910171554
InChI=1S/2Na.S INChIKey=

B97D3/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.7136   0.0000 0.7136 0.0000
Na2 0.0000 2.1682 -0.5190   2.1682 -0.5190 0.0000
Na3 0.0000 -2.1682 -0.5190   -2.1682 -0.5190 0.0000
Atom - Atom Distances (Å)
  S1 Na2 Na3
S1 2.4941 2.4941
Na2 2.4941 4.3365
Na3 2.4941 4.3365
Maximum atom distance is 4.3365Å between atoms Na2 and Na3.
picture of Sodium sulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Na2 S1 Na3 120.769

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