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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 Na2Cl2 (Disodium dichloride)
1Ag D2H
1910171554
InChI=1S/2Cl.2Na INChIKey=SJUGNKORWBGDHO-UHFFFAOYSA-N
B3LYP/LANL2DZ
Point group is D2h
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Na1 |
0.0000 |
1.7054 |
0.0000 |
|
0.0000 |
1.7054 |
0.0000 |
Cl2 |
0.0000 |
0.0000 |
1.9791 |
|
1.9791 |
0.0000 |
0.0000 |
Cl3 |
0.0000 |
0.0000 |
-1.9791 |
|
-1.9791 |
0.0000 |
0.0000 |
Na4 |
0.0000 |
-1.7054 |
0.0000 |
|
0.0000 |
-1.7054 |
0.0000 |
Atom - Atom Distances (Å)
|
Na1 |
Cl2 |
Cl3 |
Na4 |
Na1 |
| 2.6126 |
2.6126 |
3.4109 |
Cl2 |
2.6126 |
| 3.9583 |
2.6126 |
Cl3 |
2.6126 |
3.9583 |
| 2.6126 |
Na4 |
3.4109 |
2.6126 |
2.6126 |
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Maximum atom distance is 3.9583Å
between atoms Cl2 and Cl3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Na1 |
Cl2 |
Na4 |
81.504 |
|
Na1 |
Cl3 |
Na4 |
81.504 |
Cl2 |
Na1 |
Cl3 |
98.496 |
|
Cl2 |
Na4 |
Cl3 |
98.496 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.