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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

MP2/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.9083   -1.9083 0.0000 0.0000
S2 0.0000 0.0000 0.5909   0.5909 0.0000 0.0000
O3 0.0000 1.2182 -0.4740   -0.4740 0.0000 1.2182
O4 0.0000 -1.2182 -0.4740   -0.4740 0.0000 -1.2182
O5 -1.2499 0.0000 1.3143   1.3143 -1.2499 0.0000
O6 1.2499 0.0000 1.3143   1.3143 1.2499 0.0000
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4992 1.8818 1.8818 3.4564 3.4564
S2 2.4992 1.6181 1.6181 1.4441 1.4441
O3 1.8818 1.6181 2.4364 2.4989 2.4989
O4 1.8818 1.6181 2.4364 2.4989 2.4989
O5 3.4564 1.4441 2.4989 2.4989 2.4998
O6 3.4564 1.4441 2.4989 2.4989 2.4998
Maximum atom distance is 3.4564Å 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 90.816 Mg1 O4 S2 90.816
O3 Mg1 O4 80.688 O3 S2 O4 97.679
O3 S2 O5 109.249 O3 S2 O6 109.249
O4 S2 O5 109.249 O4 S2 O6 109.249
O5 S2 O6 119.883

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