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Geometry for Na2CO3 (Sodium Carbonate) 1A1 C2V

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

BLYP/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -0.5615   -0.5615 0.0000 0.0000
O2 0.0000 0.0000 0.8900   0.8900 0.0000 0.0000
O3 0.0000 1.2139 -1.1632   -1.1632 0.0000 1.2139
O4 0.0000 -1.2139 -1.1632   -1.1632 0.0000 -1.2139
Na5 0.0000 1.9677 0.6755   0.6755 0.0000 1.9677
Na6 0.0000 -1.9677 0.6755   0.6755 0.0000 -1.9677
Atom - Atom Distances (Å)
  C1 O2 O3 O4 Na5 Na6
C1 1.4515 1.3548 1.3548 2.3242 2.3242
O2 1.4515 2.3852 2.3852 1.9794 1.9794
O3 1.3548 2.3852 2.4277 1.9872 3.6746
O4 1.3548 2.3852 2.4277 3.6746 1.9872
Na5 2.3242 1.9794 1.9872 3.6746 3.9354
Na6 2.3242 1.9794 3.6746 1.9872 3.9354
Maximum atom distance is 3.9354Å between atoms Na5 and Na6.
picture of Sodium Carbonate
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 Na5 83.778 C1 O2 Na6 83.778
C1 O3 Na5 85.928 C1 O4 Na6 85.928
O2 C1 O3 116.366 O2 C1 O4 116.366
O2 Na5 O3 73.929 O2 Na6 O4 73.929
O3 C1 O4 127.269 Na5 O2 Na6 167.556

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