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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/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.8470   0.0000 -1.8470 0.0000
S2 0.0000 0.0000 0.6324   0.0000 0.6324 0.0000
O3 0.0000 1.3579 -0.6704   1.3579 -0.6704 0.0000
O4 0.0000 -1.3579 -0.6704   -1.3579 -0.6704 0.0000
O5 -1.4241 0.0000 1.4232   0.0000 1.4232 -1.4241
O6 1.4241 0.0000 1.4232   0.0000 1.4232 1.4241
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4795 1.7967 1.7967 3.5669 3.5669
S2 2.4795 1.8818 1.8818 1.6289 1.6289
O3 1.7967 1.8818 2.7157 2.8732 2.8732
O4 1.7967 1.8818 2.7157 2.8732 2.8732
O5 3.5669 1.6289 2.8732 2.8732 2.8482
O6 3.5669 1.6289 2.8732 2.8732 2.8482
Maximum atom distance is 3.5669Å 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 84.725 Mg1 O4 S2 84.725
O3 Mg1 O4 98.178 O3 S2 O4 92.371
O3 S2 O5 109.640 O3 S2 O6 109.640
O4 S2 O5 109.640 O4 S2 O6 109.640
O5 S2 O6 121.911

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