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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

BLYP/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 -1.9067   0.0000 -1.9067 0.0000
S2 0.0000 0.0000 0.5997   0.0000 0.5997 0.0000
O3 0.0000 1.2645 -0.5094   1.2645 -0.5094 0.0000
O4 0.0000 -1.2645 -0.5094   -1.2645 -0.5094 0.0000
O5 -1.2821 0.0000 1.3397   0.0000 1.3397 -1.2821
O6 1.2821 0.0000 1.3397   0.0000 1.3397 1.2821
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.5063 1.8845 1.8845 3.4904 3.4904
S2 2.5063 1.6820 1.6820 1.4804 1.4804
O3 1.8845 1.6820 2.5290 2.5811 2.5811
O4 1.8845 1.6820 2.5290 2.5811 2.5811
O5 3.4904 1.4804 2.5811 2.5811 2.5642
O6 3.4904 1.4804 2.5811 2.5811 2.5642
Maximum atom distance is 3.4904Å 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 89.109 Mg1 O4 S2 89.109
O3 Mg1 O4 84.289 O3 S2 O4 97.494
O3 S2 O5 109.246 O3 S2 O6 109.246
O4 S2 O5 109.246 O4 S2 O6 109.246
O5 S2 O6 120.012

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