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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

B3LYPultrafine/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 -1.8824   -1.8824 0.0000 0.0000
S2 0.0000 0.0000 0.5809   0.5809 0.0000 0.0000
O3 0.0000 1.2140 -0.4815   -0.4815 0.0000 1.2140
O4 0.0000 -1.2140 -0.4815   -0.4815 0.0000 -1.2140
O5 -1.2473 0.0000 1.3124   1.3124 -1.2473 0.0000
O6 1.2473 0.0000 1.3124   1.3124 1.2473 0.0000
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4633 1.8537 1.8537 3.4297 3.4297
S2 2.4633 1.6132 1.6132 1.4460 1.4460
O3 1.8537 1.6132 2.4279 2.4995 2.4995
O4 1.8537 1.6132 2.4279 2.4995 2.4995
O5 3.4297 1.4460 2.4995 2.4995 2.4947
O6 3.4297 1.4460 2.4995 2.4995 2.4947
Maximum atom distance is 3.4297Å 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 90.280 Mg1 O4 S2 90.280
O3 Mg1 O4 81.822 O3 S2 O4 97.617
O3 S2 O5 109.461 O3 S2 O6 109.461
O4 S2 O5 109.461 O4 S2 O6 109.461
O5 S2 O6 119.221

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