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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for NaLi (lithium sodium)
1Σ C*V
1910171554
InChI=1S/Li.Na INChIKey=VVNXEADCOVSAER-UHFFFAOYSA-N
B3LYPultrafine/aug-cc-pVTZ
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Li1 |
0.0000 |
0.0000 |
-2.3124 |
Na2 |
0.0000 |
0.0000 |
0.6306 |
Atom - Atom Distances (Å)
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Li1 |
Na2 |
Li1 |
| 2.9430 |
Na2 |
2.9430 |
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Maximum atom distance is 2.9430Å
between atoms Li1 and Na2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.