|
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 LiAl (Lithium Aluminum)
1Σ+ C*V
1910171554
InChI=1S/Al.Li INChIKey=
PBEPBEultrafine/aug-cc-pVTZ
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| Li1 |
0.0000 |
0.0000 |
-2.3600 |
| Al2 |
0.0000 |
0.0000 |
0.5446 |
Atom - Atom Distances (Å)
| |
Li1 |
Al2 |
| Li1 |
| 2.9046 |
| Al2 |
2.9046 |
|
Maximum atom distance is 2.9046Å
between atoms Li1 and Al2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.