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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

B3LYP/CEP-121G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -2.0200   0.0000 -2.0200 0.0000
S2 0.0000 0.0000 0.6625   0.0000 0.6625 0.0000
O3 0.0000 1.3089 -0.6212   1.3089 -0.6212 0.0000
O4 0.0000 -1.3089 -0.6212   -1.3089 -0.6212 0.0000
O5 -1.4178 0.0000 1.4737   0.0000 1.4737 -1.4178
O6 1.4178 0.0000 1.4737   0.0000 1.4737 1.4178
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.6825 1.9157 1.9157 3.7704 3.7704
S2 2.6825 1.8333 1.8333 1.6335 1.6335
O3 1.9157 1.8333 2.6178 2.8481 2.8481
O4 1.9157 1.8333 2.6178 2.8481 2.8481
O5 3.7704 1.6335 2.8481 2.8481 2.8356
O6 3.7704 1.6335 2.8481 2.8481 2.8356
Maximum atom distance is 3.7704Å 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 91.345 Mg1 O4 S2 91.345
O3 Mg1 O4 86.196 O3 S2 O4 91.114
O3 S2 O5 110.348 O3 S2 O6 110.348
O4 S2 O5 110.348 O4 S2 O6 110.348
O5 S2 O6 120.450

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