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Geometry for MgSO4 (Magnesium Sulfate) 1A1 C2V

1910171554
InChI=1/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2/fMg.O4S/qm;-2/rMgO4S/c2-6(3)4-1-5-6 INChIKey=CSNNHWWHGAXBCP-FBDJLLOLNA-L

CISD/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.8981   -1.8981 0.0000 0.0000
S2 0.0000 0.0000 0.5819   0.5819 0.0000 0.0000
O3 0.0000 1.1948 -0.4682   -0.4682 0.0000 1.1948
O4 0.0000 -1.1948 -0.4682   -0.4682 0.0000 -1.1948
O5 -1.2416 0.0000 1.3099   1.3099 -1.2416 0.0000
O6 1.2416 0.0000 1.3099   1.3099 1.2416 0.0000
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4800 1.8634 1.8634 3.4399 3.4399
S2 2.4800 1.5907 1.5907 1.4393 1.4393
O3 1.8634 1.5907 2.3896 2.4761 2.4761
O4 1.8634 1.5907 2.3896 2.4761 2.4761
O5 3.4399 1.4393 2.4761 2.4761 2.4831
O6 3.4399 1.4393 2.4761 2.4761 2.4831
Maximum atom distance is 3.4399Å between atoms Mg1 and O5.
picture of Magnesium Sulfate
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Mg1 O3 S2 91.429 Mg1 O4 S2 91.429
O3 Mg1 O4 79.766 O3 S2 O4 97.377
O3 S2 O5 109.507 O3 S2 O6 109.507
O4 S2 O5 109.507 O4 S2 O6 109.507
O5 S2 O6 119.226

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