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Geometry for MgCO3 (Magnesium Carbonate) 1A1 C2V

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

PBEPBE/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -0.6998   -0.6998 0.0000 0.0000
O2 0.0000 0.0000 -1.9114   -1.9114 0.0000 0.0000
Mg3 0.0000 0.0000 1.5301   1.5301 0.0000 0.0000
O4 0.0000 1.1561 0.0706   0.0706 1.1561 0.0000
O5 0.0000 -1.1561 0.0706   0.0706 -1.1561 0.0000
Atom - Atom Distances (Å)
  C1 O2 Mg3 O4 O5
C1 1.2115 2.2299 1.3893 1.3893
O2 1.2115 3.4414 2.2945 2.2945
Mg3 2.2299 3.4414 1.8619 1.8619
O4 1.3893 2.2945 1.8619 2.3121
O5 1.3893 2.2945 1.8619 2.3121
Maximum atom distance is 3.4414Å between atoms O2 and Mg3.
picture of Magnesium Carbonate
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O4 Mg3 85.296 C1 O5 Mg3 85.296
O2 C1 O4 123.679 O2 C1 O5 123.679
O4 C1 O5 112.642 O4 Mg3 O5 76.765

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