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 MgS (magnesium sulfide) 1Σ C*V

1910171554
InChI=1S/Mg.S INChIKey=SMDQFHZIWNYSMR-UHFFFAOYSA-N

B97D3/3-21G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
Mg1 0.0000 0.0000 -1.2758
S2 0.0000 0.0000 0.9568
Atom - Atom Distances (Å)
  Mg1 S2
Mg1 2.2326
S2 2.2326
Maximum atom distance is 2.2326Å between atoms Mg1 and S2.
picture of magnesium sulfide

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