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Geometry for MgOH (magnesium hydroxide) 2A' CS

1910171554
InChI=1S/Mg.H2O/h;1H2/q+1;/p-1 INChIKey=UNYOJUYSNFGNDV-UHFFFAOYSA-M

B3LYP/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0242 0.9822 0.0000   0.9825 -0.0031 0.0000
Mg2 0.0242 -0.8038 0.0000   -0.8029 0.0465 0.0000
H3 -0.4841 1.7886 0.0000   1.7745 -0.5336 0.0000
Atom - Atom Distances (Å)
  O1 Mg2 H3
O1 1.7860 0.9533
Mg2 1.7860 2.6418
H3 0.9533 2.6418
Maximum atom distance is 2.6418Å between atoms Mg2 and H3.
picture of magnesium hydroxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Mg2 O1 H3 147.774

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.