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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

mPW1PW91/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -0.6948   -0.6948 0.0000 0.0000
O2 0.0000 0.0000 -1.8953   -1.8953 0.0000 0.0000
Mg3 0.0000 0.0000 1.5216   1.5216 0.0000 0.0000
O4 0.0000 1.1299 0.0670   0.0670 1.1299 0.0000
O5 0.0000 -1.1299 0.0670   0.0670 -1.1299 0.0000
Atom - Atom Distances (Å)
  C1 O2 Mg3 O4 O5
C1 1.2005 2.2164 1.3627 1.3627
O2 1.2005 3.4169 2.2644 2.2644
Mg3 2.2164 3.4169 1.8418 1.8418
O4 1.3627 2.2644 1.8418 2.2598
O5 1.3627 2.2644 1.8418 2.2598
Maximum atom distance is 3.4169Å 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 86.150 C1 O5 Mg3 86.150
O2 C1 O4 123.990 O2 C1 O5 123.990
O4 C1 O5 112.020 O4 Mg3 O5 75.680

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