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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

MP3/6-31+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 -1.9105   -1.9105 0.0000 0.0000
S2 0.0000 0.0000 0.5865   0.5865 0.0000 0.0000
O3 0.0000 1.2077 -0.4747   -0.4747 0.0000 1.2077
O4 0.0000 -1.2077 -0.4747   -0.4747 0.0000 -1.2077
O5 -1.2505 0.0000 1.3210   1.3210 -1.2505 0.0000
O6 1.2505 0.0000 1.3210   1.3210 1.2505 0.0000
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4970 1.8762 1.8762 3.4650 3.4650
S2 2.4970 1.6078 1.6078 1.4503 1.4503
O3 1.8762 1.6078 2.4155 2.4994 2.4994
O4 1.8762 1.6078 2.4155 2.4994 2.4994
O5 3.4650 1.4503 2.4994 2.4994 2.5011
O6 3.4650 1.4503 2.4994 2.4994 2.5011
Maximum atom distance is 3.4650Å 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 91.236 Mg1 O4 S2 91.236
O3 Mg1 O4 80.140 O3 S2 O4 97.388
O3 S2 O5 109.530 O3 S2 O6 109.530
O4 S2 O5 109.530 O4 S2 O6 109.530
O5 S2 O6 119.146

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