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Geometry for MgSO4 (Magnesium Sulfate) 1A1 C2V

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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

BLYP/TZVP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.9351   0.0000 -1.9351 0.0000
S2 0.0000 0.0000 0.6105   0.0000 0.6105 0.0000
O3 0.0000 1.2611 -0.5133   1.2611 -0.5133 0.0000
O4 0.0000 -1.2611 -0.5133   -1.2611 -0.5133 0.0000
O5 -1.2872 0.0000 1.3541   0.0000 1.3541 -1.2872
O6 1.2872 0.0000 1.3541   0.0000 1.3541 1.2872
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.5456 1.9004 1.9004 3.5321 3.5321
S2 2.5456 1.6892 1.6892 1.4865 1.4865
O3 1.9004 1.6892 2.5222 2.5951 2.5951
O4 1.9004 1.6892 2.5222 2.5951 2.5951
O5 3.5321 1.4865 2.5951 2.5951 2.5744
O6 3.5321 1.4865 2.5951 2.5951 2.5744
Maximum atom distance is 3.5321Å 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 90.133 Mg1 O4 S2 90.133
O3 Mg1 O4 83.147 O3 S2 O4 96.587
O3 S2 O5 109.440 O3 S2 O6 109.440
O4 S2 O5 109.440 O4 S2 O6 109.440
O5 S2 O6 119.969

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