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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

B3PW91/3-21G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.8814   -1.8814 0.0000 0.0000
S2 0.0000 0.0000 0.5865   0.5865 0.0000 0.0000
O3 0.0000 1.2212 -0.4894   -0.4894 0.0000 1.2212
O4 0.0000 -1.2212 -0.4894   -0.4894 0.0000 -1.2212
O5 -1.2609 0.0000 1.3140   1.3140 -1.2609 0.0000
O6 1.2609 0.0000 1.3140   1.3140 1.2609 0.0000
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4679 1.8518 1.8518 3.4352 3.4352
S2 2.4679 1.6276 1.6276 1.4557 1.4557
O3 1.8518 1.6276 2.4424 2.5167 2.5167
O4 1.8518 1.6276 2.4424 2.5167 2.5167
O5 3.4352 1.4557 2.5167 2.5167 2.5218
O6 3.4352 1.4557 2.5167 2.5167 2.5218
Maximum atom distance is 3.4352Å 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 90.119 Mg1 O4 S2 90.119
O3 Mg1 O4 82.522 O3 S2 O4 97.239
O3 S2 O5 109.291 O3 S2 O6 109.291
O4 S2 O5 109.291 O4 S2 O6 109.291
O5 S2 O6 120.031

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