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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

PBEPBE/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.9033   0.0000 -1.9033 0.0000
S2 0.0000 0.0000 0.5950   0.0000 0.5950 0.0000
O3 0.0000 1.2635 -0.5128   1.2635 -0.5128 0.0000
O4 0.0000 -1.2635 -0.5128   -1.2635 -0.5128 0.0000
O5 -1.2906 0.0000 1.3453   0.0000 1.3453 -1.2906
O6 1.2906 0.0000 1.3453   0.0000 1.3453 1.2906
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4983 1.8789 1.8789 3.4956 3.4956
S2 2.4983 1.6804 1.6804 1.4928 1.4928
O3 1.8789 1.6804 2.5270 2.5912 2.5912
O4 1.8789 1.6804 2.5270 2.5912 2.5912
O5 3.4956 1.4928 2.5912 2.5912 2.5811
O6 3.4956 1.4928 2.5912 2.5912 2.5811
Maximum atom distance is 3.4956Å 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 88.982 Mg1 O4 S2 88.982
O3 Mg1 O4 84.519 O3 S2 O4 97.517
O3 S2 O5 109.350 O3 S2 O6 109.350
O4 S2 O5 109.350 O4 S2 O6 109.350
O5 S2 O6 119.655

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