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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 Mg(OH)2 (Magnesium dihydroxide)
1910171554
B3PW91/3-21G
Point group is D∞h
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Mg1 |
0.0000 |
0.0000 |
0.0000 |
O2 |
0.0000 |
0.0000 |
1.7272 |
O3 |
0.0000 |
0.0000 |
-1.7272 |
H4 |
0.0000 |
0.0000 |
2.6907 |
H5 |
0.0000 |
0.0000 |
-2.6907 |
Atom - Atom Distances (Å)
|
Mg1 |
O2 |
O3 |
H4 |
H5 |
Mg1 |
| 1.7272 |
1.7272 |
2.6907 |
2.6907 |
O2 |
1.7272 |
| 3.4544 |
0.9635 |
4.4179 |
O3 |
1.7272 |
3.4544 |
| 4.4179 |
0.9635 |
H4 |
2.6907 |
0.9635 |
4.4179 |
| 5.3813 |
H5 |
2.6907 |
4.4179 |
0.9635 |
5.3813 |
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Maximum atom distance is 5.3813Å
between atoms H4 and H5.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
O2 |
Mg1 |
O3 |
180.000 |
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Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Mg1 |
O2 |
H4 |
180.000 |
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Mg1 |
O3 |
H5 |
180.000 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.