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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

PBE1PBE/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.8993   0.0000 -1.8993 0.0000
S2 0.0000 0.0000 0.5925   0.0000 0.5925 0.0000
O3 0.0000 1.2273 -0.4922   1.2273 -0.4922 0.0000
O4 0.0000 -1.2273 -0.4922   -1.2273 -0.4922 0.0000
O5 -1.2684 0.0000 1.3242   0.0000 1.3242 -1.2684
O6 1.2684 0.0000 1.3242   0.0000 1.3242 1.2684
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4918 1.8672 1.8672 3.4641 3.4641
S2 2.4918 1.6379 1.6379 1.4643 1.4643
O3 1.8672 1.6379 2.4547 2.5326 2.5326
O4 1.8672 1.6379 2.4547 2.5326 2.5326
O5 3.4641 1.4643 2.5326 2.5326 2.5367
O6 3.4641 1.4643 2.5326 2.5326 2.5367
Maximum atom distance is 3.4641Å 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 90.373 Mg1 O4 S2 90.373
O3 Mg1 O4 82.191 O3 S2 O4 97.062
O3 S2 O5 109.324 O3 S2 O6 109.324
O4 S2 O5 109.324 O4 S2 O6 109.324
O5 S2 O6 120.040

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