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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

B1B95/6-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.9856   -1.9856 0.0000 0.0000
S2 0.0000 0.0000 0.6420   0.6420 0.0000 0.0000
O3 0.0000 1.2921 -0.5870   -0.5870 0.0000 1.2921
O4 0.0000 -1.2921 -0.5870   -0.5870 0.0000 -1.2921
O5 -1.3928 0.0000 1.4342   1.4342 -1.3928 0.0000
O6 1.3928 0.0000 1.4342   1.4342 1.3928 0.0000
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.6276 1.9041 1.9041 3.6926 3.6926
S2 2.6276 1.7832 1.7832 1.6024 1.6024
O3 1.9041 1.7832 2.5841 2.7740 2.7740
O4 1.9041 1.7832 2.5841 2.7740 2.7740
O5 3.6926 1.6024 2.7740 2.7740 2.7857
O6 3.6926 1.6024 2.7740 2.7740 2.7857
Maximum atom distance is 3.6926Å 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 90.834 Mg1 O4 S2 90.834
O3 Mg1 O4 85.466 O3 S2 O4 92.866
O3 S2 O5 109.924 O3 S2 O6 109.924
O4 S2 O5 109.924 O4 S2 O6 109.924
O5 S2 O6 120.735

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