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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 Na2O (disodium monoxide)
1A1 C2V
1910171554
InChI=1S/2Na.O INChIKey=QVUYWFOHKOTLOB-UHFFFAOYNA-N
PBEPBE/6-311G*
Point group is C2v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
O1 |
0.0000 |
0.0000 |
0.4420 |
|
0.4420 |
0.0000 |
0.0000 |
Na2 |
0.0000 |
1.9165 |
-0.1607 |
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-0.1607 |
0.0000 |
1.9165 |
Na3 |
0.0000 |
-1.9165 |
-0.1607 |
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-0.1607 |
0.0000 |
-1.9165 |
Atom - Atom Distances (Å)
|
O1 |
Na2 |
Na3 |
O1 |
| 2.0090 |
2.0090 |
Na2 |
2.0090 |
| 3.8330 |
Na3 |
2.0090 |
3.8330 |
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Maximum atom distance is 3.8330Å
between atoms Na2 and Na3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Na2 |
O1 |
Na3 |
145.088 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.