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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

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


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.8714   0.0000 -1.8714 0.0000
S2 0.0000 0.0000 0.5781   0.0000 0.5781 0.0000
O3 0.0000 1.2175 -0.4764   1.2175 -0.4764 0.0000
O4 0.0000 -1.2175 -0.4764   -1.2175 -0.4764 0.0000
O5 -1.2456 0.0000 1.3019   0.0000 1.3019 -1.2456
O6 1.2456 0.0000 1.3019   0.0000 1.3019 1.2456
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4496 1.8516 1.8516 3.4090 3.4090
S2 2.4496 1.6107 1.6107 1.4406 1.4406
O3 1.8516 1.6107 2.4349 2.4892 2.4892
O4 1.8516 1.6107 2.4349 2.4892 2.4892
O5 3.4090 1.4406 2.4892 2.4892 2.4911
O6 3.4090 1.4406 2.4892 2.4892 2.4911
Maximum atom distance is 3.4090Å 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 89.786 Mg1 O4 S2 89.786
O3 Mg1 O4 82.223 O3 S2 O4 98.204
O3 S2 O5 109.205 O3 S2 O6 109.205
O4 S2 O5 109.205 O4 S2 O6 109.205
O5 S2 O6 119.679

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