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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

M06-2X/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.8414   -1.8414 0.0000 0.0000
S2 0.0000 0.0000 0.6153   0.6153 0.0000 0.0000
O3 0.0000 1.3041 -0.6259   -0.6259 0.0000 1.3041
O4 0.0000 -1.3041 -0.6259   -0.6259 0.0000 -1.3041
O5 -1.4170 0.0000 1.3916   1.3916 -1.4170 0.0000
O6 1.4170 0.0000 1.3916   1.3916 1.4170 0.0000
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.4566 1.7827 1.7827 3.5299 3.5299
S2 2.4566 1.8003 1.8003 1.6157 1.6157
O3 1.7827 1.8003 2.6083 2.7891 2.7891
O4 1.7827 1.8003 2.6083 2.7891 2.7891
O5 3.5299 1.6157 2.7891 2.7891 2.8340
O6 3.5299 1.6157 2.7891 2.7891 2.8340
Maximum atom distance is 3.5299Å 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 86.567 Mg1 O4 S2 86.567
O3 Mg1 O4 94.031 O3 S2 O4 92.835
O3 S2 O5 109.345 O3 S2 O6 109.345
O4 S2 O5 109.345 O4 S2 O6 109.345
O5 S2 O6 122.564

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