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Geometry for B2O3 (diboron trioxide) 1A1 C2V

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

HSEh1PBE/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.4982   0.0000 0.4982 0.0000
B2 0.0000 1.2492 0.0636   1.2492 0.0636 0.0000
B3 0.0000 -1.2492 0.0636   -1.2492 0.0636 0.0000
O4 0.0000 2.4021 -0.2889   2.4021 -0.2889 0.0000
O5 0.0000 -2.4021 -0.2889   -2.4021 -0.2889 0.0000
Atom - Atom Distances (Å)
  O1 B2 B3 O4 O5
O1 1.3227 1.3227 2.5277 2.5277
B2 1.3227 2.4984 1.2055 3.6682
B3 1.3227 2.4984 3.6682 1.2055
O4 2.5277 1.2055 3.6682 4.8041
O5 2.5277 3.6682 1.2055 4.8041
Maximum atom distance is 4.8041Å 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 177.813 O1 B3 O5 177.813
B2 O1 B3 141.629

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