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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 LiF (lithium fluoride)
1Σ C*V
1910171554
InChI=1S/FH.Li/h1H;/q;+1/p-1 INChIKey=PQXKHYXIUOZZFA-UHFFFAOYSA-M
B1B95/cc-pVDZ
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
F1 |
0.0000 |
0.0000 |
0.3941 |
Li2 |
0.0000 |
0.0000 |
-1.1824 |
Atom - Atom Distances (Å)
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F1 |
Li2 |
F1 |
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1.5765 |
Li2 |
1.5765 |
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Maximum atom distance is 1.5765Å
between atoms F1 and Li2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.