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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

wB97X-D/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 -1.8923   0.0000 -1.8923 0.0000
S2 0.0000 0.0000 0.5833   0.0000 0.5833 0.0000
O3 0.0000 1.2119 -0.4765   1.2119 -0.4765 0.0000
O4 0.0000 -1.2119 -0.4765   -1.2119 -0.4765 0.0000
O5 -1.2513 0.0000 1.3125   0.0000 1.3125 -1.2513
O6 1.2513 0.0000 1.3125   0.0000 1.3125 1.2513
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4756 1.8637 1.8637 3.4404 3.4404
S2 2.4756 1.6100 1.6100 1.4483 1.4483
O3 1.8637 1.6100 2.4239 2.4970 2.4970
O4 1.8637 1.6100 2.4239 2.4970 2.4970
O5 3.4404 1.4483 2.4970 2.4970 2.5026
O6 3.4404 1.4483 2.4970 2.4970 2.5026
Maximum atom distance is 3.4404Å 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 90.606 Mg1 O4 S2 90.606
O3 Mg1 O4 81.129 O3 S2 O4 97.660
O3 S2 O5 109.355 O3 S2 O6 109.355
O4 S2 O5 109.355 O4 S2 O6 109.355
O5 S2 O6 119.542

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