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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-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 -1.8861   -1.8861 0.0000 0.0000
S2 0.0000 0.0000 0.5921   0.5921 0.0000 0.0000
O3 0.0000 1.2412 -0.4997   -0.4997 0.0000 1.2412
O4 0.0000 -1.2412 -0.4997   -0.4997 0.0000 -1.2412
O5 -1.2771 0.0000 1.3222   1.3222 -1.2771 0.0000
O6 1.2771 0.0000 1.3222   1.3222 1.2771 0.0000
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4782 1.8608 1.8608 3.4531 3.4531
S2 2.4782 1.6530 1.6530 1.4710 1.4710
O3 1.8608 1.6530 2.4823 2.5476 2.5476
O4 1.8608 1.6530 2.4823 2.5476 2.5476
O5 3.4531 1.4710 2.5476 2.5476 2.5542
O6 3.4531 1.4710 2.5476 2.5476 2.5542
Maximum atom distance is 3.4531Å 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 89.502 Mg1 O4 S2 89.502
O3 Mg1 O4 83.669 O3 S2 O4 97.327
O3 S2 O5 109.135 O3 S2 O6 109.135
O4 S2 O5 109.135 O4 S2 O6 109.135
O5 S2 O6 120.491

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