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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

MP2/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.8938   0.0000 -1.8938 0.0000
S2 0.0000 0.0000 0.5780   0.0000 0.5780 0.0000
O3 0.0000 1.2120 -0.4695   1.2120 -0.4695 0.0000
O4 0.0000 -1.2120 -0.4695   -1.2120 -0.4695 0.0000
O5 -1.2469 0.0000 1.3119   0.0000 1.3119 -1.2469
O6 1.2469 0.0000 1.3119   0.0000 1.3119 1.2469
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4718 1.8702 1.8702 3.4397 3.4397
S2 2.4718 1.6020 1.6020 1.4469 1.4469
O3 1.8702 1.6020 2.4240 2.4895 2.4895
O4 1.8702 1.6020 2.4240 2.4895 2.4895
O5 3.4397 1.4469 2.4895 2.4895 2.4938
O6 3.4397 1.4469 2.4895 2.4895 2.4938
Maximum atom distance is 3.4397Å 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 90.440 Mg1 O4 S2 90.440
O3 Mg1 O4 80.793 O3 S2 O4 98.326
O3 S2 O5 109.372 O3 S2 O6 109.372
O4 S2 O5 109.372 O4 S2 O6 109.372
O5 S2 O6 119.038

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