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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

LSDA/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.8609   -1.8609 0.0000 0.0000
S2 0.0000 0.0000 0.5733   0.5733 0.0000 0.0000
O3 0.0000 1.2132 -0.4784   -0.4784 0.0000 1.2132
O4 0.0000 -1.2132 -0.4784   -0.4784 0.0000 -1.2132
O5 -1.2470 0.0000 1.3008   1.3008 -1.2470 0.0000
O6 1.2470 0.0000 1.3008   1.3008 1.2470 0.0000
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4342 1.8394 1.8394 3.3987 3.3987
S2 2.4342 1.6056 1.6056 1.4437 1.4437
O3 1.8394 1.6056 2.4265 2.4885 2.4885
O4 1.8394 1.6056 2.4265 2.4885 2.4885
O5 3.3987 1.4437 2.4885 2.4885 2.4940
O6 3.3987 1.4437 2.4885 2.4885 2.4940
Maximum atom distance is 3.3987Å 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 89.650 Mg1 O4 S2 89.650
O3 Mg1 O4 82.538 O3 S2 O4 98.162
O3 S2 O5 109.273 O3 S2 O6 109.273
O4 S2 O5 109.273 O4 S2 O6 109.273
O5 S2 O6 119.480

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