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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=
wB97X-D/6-311G**
Point group is C2v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Si1 |
0.0000 |
0.0000 |
0.7963 |
|
0.7963 |
0.0000 |
0.0000 |
C2 |
0.0000 |
0.6304 |
-0.9290 |
|
-0.9290 |
0.6304 |
0.0000 |
C3 |
0.0000 |
-0.6304 |
-0.9290 |
|
-0.9290 |
-0.6304 |
0.0000 |
Atom - Atom Distances (Å)
|
Si1 |
C2 |
C3 |
Si1 |
| 1.8369 |
1.8369 |
C2 |
1.8369 |
|
1.2609 |
C3 |
1.8369 |
1.2609 |
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Maximum atom distance is 1.8369Å
between atoms Si1 and C2.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
C2 |
Si1 |
C3 |
40.145 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.