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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

HSEh1PBE/TZVP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.9106   -1.9106 0.0000 0.0000
S2 0.0000 0.0000 0.5922   0.5922 0.0000 0.0000
O3 0.0000 1.2117 -0.4835   -0.4835 0.0000 1.2117
O4 0.0000 -1.2117 -0.4835   -0.4835 0.0000 -1.2117
O5 -1.2598 0.0000 1.3242   1.3242 -1.2598 0.0000
O6 1.2598 0.0000 1.3242   1.3242 1.2598 0.0000
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.5028 1.8721 1.8721 3.4714 3.4714
S2 2.5028 1.6203 1.6203 1.4570 1.4570
O3 1.8721 1.6203 2.4234 2.5146 2.5146
O4 1.8721 1.6203 2.4234 2.5146 2.5146
O5 3.4714 1.4570 2.5146 2.5146 2.5196
O6 3.4714 1.4570 2.5146 2.5146 2.5196
Maximum atom distance is 3.4714Å 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 91.264 Mg1 O4 S2 91.264
O3 Mg1 O4 80.668 O3 S2 O4 96.804
O3 S2 O5 109.482 O3 S2 O6 109.482
O4 S2 O5 109.482 O4 S2 O6 109.482
O5 S2 O6 119.688

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