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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 AlC (Aluminum carbide)
4Σ C*V
1910171554
InChI=1S/C.Al INChIKey=CGOMEZFCOFKDAD-UHFFFAOYSA-N
PBE1PBE/6-31G**
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Al1 |
0.0000 |
0.0000 |
0.6219 |
C2 |
0.0000 |
0.0000 |
-1.3474 |
Atom - Atom Distances (Å)
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Al1 |
C2 |
Al1 |
| 1.9693 |
C2 |
1.9693 |
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Maximum atom distance is 1.9693Å
between atoms Al1 and C2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.