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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 SiS2 (Silicon disulfide)
1Σg D*H
1910171554
InChI=1S/S2Si/c1-3-2 INChIKey=KHDSWONFYIAAPE-UHFFFAOYSA-N
CCD/6-31G*
Point group is D∞h
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Si1 |
0.0000 |
0.0000 |
0.0000 |
S2 |
0.0000 |
0.0000 |
1.9241 |
S3 |
0.0000 |
0.0000 |
-1.9241 |
Atom - Atom Distances (Å)
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Si1 |
S2 |
S3 |
Si1 |
| 1.9241 |
1.9241 |
S2 |
1.9241 |
| 3.8483 |
S3 |
1.9241 |
3.8483 |
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Maximum atom distance is 3.8483Å
between atoms S2 and S3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
S2 |
Si1 |
S3 |
180.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.