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Geometry for SeOCl2 (selenium oxychloride) 1A' CS

1910171554
InChI=1S/Cl2OSe/c1-4(2)3 INChIKey=LIRMPIXWGWLNND-UHFFFAOYSA-N

LSDA/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Se1 0.1532 0.5824 0.0000   0.1872 0.5514 0.1532
O2 -1.3022 1.2863 0.0000   0.4135 1.2180 -1.3022
Cl3 0.1532 -0.8850 1.6813   1.3076 -1.3785 0.1532
Cl4 0.1532 -0.8850 -1.6813   -1.8766 -0.2975 0.1532
Atom - Atom Distances (Å)
  Se1 O2 Cl3 Cl4
Se1 1.6167 2.2316 2.2316
O2 1.6167 3.1080 3.1080
Cl3 2.2316 3.1080 3.3627
Cl4 2.2316 3.1080 3.3627
Maximum atom distance is 3.3627Å between atoms Cl3 and Cl4.
picture of selenium oxychloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 Se1 Cl3 106.637 O2 Se1 Cl4 106.637
Cl3 Se1 Cl4 97.775

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