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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

TPSSh/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3695   0.3695 0.0000 0.0000
O2 0.0000 0.0000 1.5725   1.5725 0.0000 0.0000
Be3 0.0000 0.0000 -1.5300   -1.5300 0.0000 0.0000
O4 0.0000 1.1416 -0.5423   -0.5423 1.1416 0.0000
O5 0.0000 -1.1416 -0.5423   -0.5423 -1.1416 0.0000
Atom - Atom Distances (Å)
  C1 O2 Be3 O4 O5
C1 1.2030 1.8995 1.4610 1.4610
O2 1.2030 3.1025 2.4032 2.4032
Be3 1.8995 3.1025 1.5096 1.5096
O4 1.4610 2.4032 1.5096 2.2832
O5 1.4610 2.4032 1.5096 2.2832
Maximum atom distance is 3.1025Å 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 79.480 C1 O5 Be3 79.480
O2 C1 O4 128.613 O2 C1 O5 128.613
O4 C1 O5 102.774 O4 Be3 O5 98.265

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