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Geometry for BeCO3 (Beryllium Carbonate) 1A1 C2V

1910171554
InChI=1S/CH2O3.Be/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2 INChIKey=ZBUQRSWEONVBES-UHFFFAOYSA-L

B3LYPultrafine/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3380   0.3380 0.0000 0.0000
O2 0.0000 0.0000 1.5212   1.5212 0.0000 0.0000
Be3 0.0000 0.0000 -1.4830   -1.4830 0.0000 0.0000
O4 0.0000 1.1054 -0.5166   -0.5166 1.1054 0.0000
O5 0.0000 -1.1054 -0.5166   -0.5166 -1.1054 0.0000
Atom - Atom Distances (Å)
  C1 O2 Be3 O4 O5
C1 1.1832 1.8210 1.3972 1.3972
O2 1.1832 3.0042 2.3183 2.3183
Be3 1.8210 3.0042 1.4682 1.4682
O4 1.3972 2.3183 1.4682 2.2108
O5 1.3972 2.3183 1.4682 2.2108
Maximum atom distance is 3.0042Å between atoms O2 and Be3.
picture of Beryllium Carbonate
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O4 Be3 78.869 C1 O5 Be3 78.869
O2 C1 O4 127.708 O2 C1 O5 127.708
O4 C1 O5 104.584 O4 Be3 O5 97.677

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