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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

B2PLYP=FULLultrafine/aug-cc-pVTZ


Point group is C2v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.5573
O2 0.0000 0.0000 0.7956
O3 0.0000 1.1250 -1.1557
O4 0.0000 -1.1250 -1.1557
Na5 0.0000 2.1385 0.7032
Na6 0.0000 -2.1385 0.7032
Atom - Atom Distances (Å)
  C1 O2 O3 O4 Na5 Na6
C1 1.3530 1.2742 1.2742 2.4823 2.4823
O2 1.3530 2.2524 2.2524 2.1405 2.1405
O3 1.2742 2.2524 2.2500 2.1172 3.7558
O4 1.2742 2.2524 2.2500 3.7558 2.1172
Na5 2.4823 2.1405 2.1172 3.7558 4.2770
Na6 2.4823 2.1405 3.7558 2.1172 4.2770
Maximum atom distance is 4.2770Å 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 87.525 C1 O2 Na6 87.525
C1 O3 Na5 90.590 C1 O4 Na6 90.590
O2 C1 O3 118.009 O2 C1 O4 118.009
O2 Na5 O3 63.876 O2 Na6 O4 63.876
O3 C1 O4 123.981 Na5 O2 Na6 175.049

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