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=

B3PW91/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6983   0.6983 0.0000 0.0000
Na2 0.0000 2.1116 -0.5078   -0.5078 0.0000 2.1116
Na3 0.0000 -2.1116 -0.5078   -0.5078 0.0000 -2.1116
Atom - Atom Distances (Å)
  S1 Na2 Na3
S1 2.4318 2.4318
Na2 2.4318 4.2232
Na3 2.4318 4.2232
Maximum atom distance is 4.2232Å 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 120.531

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