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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

HF/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 -1.8748   -1.8748 0.0000 0.0000
S2 0.0000 0.0000 0.5676   0.5676 0.0000 0.0000
O3 0.0000 1.1632 -0.4541   -0.4541 0.0000 1.1632
O4 0.0000 -1.1632 -0.4541   -0.4541 0.0000 -1.1632
O5 -1.2136 0.0000 1.2927   1.2927 -1.2136 0.0000
O6 1.2136 0.0000 1.2927   1.2927 1.2136 0.0000
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4424 1.8361 1.8361 3.3920 3.3920
S2 2.4424 1.5482 1.5482 1.4137 1.4137
O3 1.8361 1.5482 2.3264 2.4243 2.4243
O4 1.8361 1.5482 2.3264 2.4243 2.4243
O5 3.3920 1.4137 2.4243 2.4243 2.4271
O6 3.3920 1.4137 2.4243 2.4243 2.4271
Maximum atom distance is 3.3920Å 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 91.985 Mg1 O4 S2 91.985
O3 Mg1 O4 78.618 O3 S2 O4 97.411
O3 S2 O5 109.785 O3 S2 O6 109.785
O4 S2 O5 109.785 O4 S2 O6 109.785
O5 S2 O6 118.284

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