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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

mPW1PW91/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -0.5570   -0.5570 0.0000 0.0000
O2 0.0000 0.0000 0.7917   0.7917 0.0000 0.0000
O3 0.0000 1.1266 -1.1571   -1.1571 0.0000 1.1266
O4 0.0000 -1.1266 -1.1571   -1.1571 0.0000 -1.1266
Na5 0.0000 2.1675 0.7056   0.7056 0.0000 2.1675
Na6 0.0000 -2.1675 0.7056   0.7056 0.0000 -2.1675
Atom - Atom Distances (Å)
  C1 O2 O3 O4 Na5 Na6
C1 1.3487 1.2764 1.2764 2.5084 2.5084
O2 1.3487 2.2511 2.2511 2.1692 2.1692
O3 1.2764 2.2511 2.2531 2.1338 3.7842
O4 1.2764 2.2511 2.2531 3.7842 2.1338
Na5 2.5084 2.1692 2.1338 3.7842 4.3349
Na6 2.5084 2.1692 3.7842 2.1338 4.3349
Maximum atom distance is 4.3349Å 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 87.723 C1 O2 Na6 87.723
C1 O3 Na5 91.153 C1 O4 Na6 91.153
O2 C1 O3 118.044 O2 C1 O4 118.044
O2 Na5 O3 63.080 O2 Na6 O4 63.080
O3 C1 O4 123.911 Na5 O2 Na6 175.446

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