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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

PBEPBE/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 -1.8973   0.0000 -1.8973 0.0000
S2 0.0000 0.0000 0.5913   0.0000 0.5913 0.0000
O3 0.0000 1.2547 -0.4966   1.2547 -0.4966 0.0000
O4 0.0000 -1.2547 -0.4966   -1.2547 -0.4966 0.0000
O5 -1.2755 0.0000 1.3283   0.0000 1.3283 -1.2755
O6 1.2755 0.0000 1.3283   0.0000 1.3283 1.2755
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4885 1.8804 1.8804 3.4686 3.4686
S2 2.4885 1.6606 1.6606 1.4731 1.4731
O3 1.8804 1.6606 2.5094 2.5557 2.5557
O4 1.8804 1.6606 2.5094 2.5557 2.5557
O5 3.4686 1.4731 2.5557 2.5557 2.5510
O6 3.4686 1.4731 2.5557 2.5557 2.5510
Maximum atom distance is 3.4686Å 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 89.073 Mg1 O4 S2 89.073
O3 Mg1 O4 83.708 O3 S2 O4 98.147
O3 S2 O5 109.133 O3 S2 O6 109.133
O4 S2 O5 109.133 O4 S2 O6 109.133
O5 S2 O6 119.958

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