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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

TPSSh/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.9030   0.0000 -1.9030 0.0000
S2 0.0000 0.0000 0.5894   0.0000 0.5894 0.0000
O3 0.0000 1.2313 -0.4892   1.2313 -0.4892 0.0000
O4 0.0000 -1.2313 -0.4892   -1.2313 -0.4892 0.0000
O5 -1.2641 0.0000 1.3271   0.0000 1.3271 -1.2641
O6 1.2641 0.0000 1.3271   0.0000 1.3271 1.2641
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4923 1.8748 1.8748 3.4686 3.4686
S2 2.4923 1.6368 1.6368 1.4636 1.4636
O3 1.8748 1.6368 2.4625 2.5323 2.5323
O4 1.8748 1.6368 2.4625 2.5323 2.5323
O5 3.4686 1.4636 2.5323 2.5323 2.5283
O6 3.4686 1.4636 2.5323 2.5323 2.5283
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 90.166 Mg1 O4 S2 90.166
O3 Mg1 O4 82.104 O3 S2 O4 97.564
O3 S2 O5 109.397 O3 S2 O6 109.397
O4 S2 O5 109.397 O4 S2 O6 109.397
O5 S2 O6 119.469

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