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 LiMg (Lithium magnesium) 2Σ C*V

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

LSDA/6-31+G**


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
Li1 0.0000 0.0000 -2.4304
Mg2 0.0000 0.0000 0.6076
Atom - Atom Distances (Å)
  Li1 Mg2
Li1 3.0380
Mg2 3.0380
Maximum atom distance is 3.0380Å between atoms Li1 and Mg2.
picture of Lithium magnesium

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