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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 S3 (Sulfur trimer)
1A1' D3H
1910171554
InChI=1S/S3/c1-2-3-1 INChIKey=
HF/SDD
Point group is D3h
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
S1 |
0.0000 |
1.3262 |
0.0000 |
|
0.0000 |
1.3262 |
0.0000 |
S2 |
1.1485 |
-0.6631 |
0.0000 |
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1.1485 |
-0.6631 |
0.0000 |
S3 |
-1.1485 |
-0.6631 |
0.0000 |
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-1.1485 |
-0.6631 |
0.0000 |
Atom - Atom Distances (Å)
|
S1 |
S2 |
S3 |
S1 |
| 2.2971 |
2.2971 |
S2 |
2.2971 |
| 2.2971 |
S3 |
2.2971 |
2.2971 |
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Maximum atom distance is 2.2971Å
between atoms S1 and S2.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
S2 |
S1 |
S3 |
60.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.