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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

B97D3/6-311+G(3df,2p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.8880   -1.8880 0.0000 0.0000
S2 0.0000 0.0000 0.5802   0.5802 0.0000 0.0000
O3 0.0000 1.2192 -0.4749   -0.4749 0.0000 1.2192
O4 0.0000 -1.2192 -0.4749   -0.4749 0.0000 -1.2192
O5 -1.2423 0.0000 1.3107   1.3107 -1.2423 0.0000
O6 1.2423 0.0000 1.3107   1.3107 1.2423 0.0000
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4681 1.8664 1.8664 3.4314 3.4314
S2 2.4681 1.6123 1.6123 1.4412 1.4412
O3 1.8664 1.6123 2.4384 2.4936 2.4936
O4 1.8664 1.6123 2.4384 2.4936 2.4936
O5 3.4314 1.4412 2.4936 2.4936 2.4846
O6 3.4314 1.4412 2.4936 2.4936 2.4846
Maximum atom distance is 3.4314Å 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 90.084 Mg1 O4 S2 90.084
O3 Mg1 O4 81.574 O3 S2 O4 98.258
O3 S2 O5 109.370 O3 S2 O6 109.370
O4 S2 O5 109.370 O4 S2 O6 109.370
O5 S2 O6 119.089

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