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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 SiC2 (Silicon dicarbide)
1A1 C2V
1910171554
InChI=1S/C2Si/c1-2-3-1 INChIKey=
PBEPBE/6-31G(2df,p)
Point group is C2v
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Si1 |
0.0000 |
0.0000 |
0.8015 |
|
0.8015 |
0.0000 |
0.0000 |
| C2 |
0.0000 |
0.6413 |
-0.9350 |
|
-0.9350 |
0.6413 |
0.0000 |
| C3 |
0.0000 |
-0.6413 |
-0.9350 |
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-0.9350 |
-0.6413 |
0.0000 |
Atom - Atom Distances (Å)
| |
Si1 |
C2 |
C3 |
| Si1 |
| 1.8511 |
1.8511 |
| C2 |
1.8511 |
|
1.2826 |
| C3 |
1.8511 |
1.2826 |
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Maximum atom distance is 1.8511Å
between atoms Si1 and C2.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
C2 |
Si1 |
C3 |
40.539 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.