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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 GaCl3 (Gallium trichloride)
1A1' D3H
1910171554
InChI=1S/3ClH.Ga/h3*1H;/q;;;+3/p-3 INChIKey=UPWPDUACHOATKO-UHFFFAOYSA-K
HF/Def2TZVPP
Point group is D3h
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Ga1 |
0.0000 |
0.0000 |
0.0000 |
|
0.0000 |
0.0000 |
0.0000 |
Cl2 |
0.0000 |
2.1209 |
0.0000 |
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2.1209 |
0.0000 |
0.0000 |
Cl3 |
1.8367 |
-1.0604 |
0.0000 |
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-1.0604 |
1.8367 |
0.0000 |
Cl4 |
-1.8367 |
-1.0604 |
0.0000 |
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-1.0604 |
-1.8367 |
0.0000 |
Atom - Atom Distances (Å)
|
Ga1 |
Cl2 |
Cl3 |
Cl4 |
Ga1 |
| 2.1209 |
2.1209 |
2.1209 |
Cl2 |
2.1209 |
| 3.6735 |
3.6735 |
Cl3 |
2.1209 |
3.6735 |
| 3.6735 |
Cl4 |
2.1209 |
3.6735 |
3.6735 |
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Maximum atom distance is 3.6735Å
between atoms Cl2 and Cl3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Cl2 |
Ga1 |
Cl3 |
120.000 |
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Cl2 |
Ga1 |
Cl4 |
120.000 |
Cl3 |
Ga1 |
Cl4 |
120.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.