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Geometry for B2O3 (diboron trioxide) 1A1 C2V

1910171554
InChI=1S/B2O3/c3-1-5-2-4 INChIKey=

B3PW91/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.4936   0.0000 0.4936 0.0000
B2 0.0000 1.2498 0.0635   1.2498 0.0635 0.0000
B3 0.0000 -1.2498 0.0635   -1.2498 0.0635 0.0000
O4 0.0000 2.4039 -0.2865   2.4039 -0.2865 0.0000
O5 0.0000 -2.4039 -0.2865   -2.4039 -0.2865 0.0000
Atom - Atom Distances (Å)
  O1 B2 B3 O4 O5
O1 1.3217 1.3217 2.5273 2.5273
B2 1.3217 2.4995 1.2060 3.6704
B3 1.3217 2.4995 3.6704 1.2060
O4 2.5273 1.2060 3.6704 4.8078
O5 2.5273 3.6704 1.2060 4.8078
Maximum atom distance is 4.8078Å between atoms O4 and O5.
picture of diboron trioxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 B2 O4 177.880 O1 B3 O5 177.880
B2 O1 B3 142.022

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