Molecular Structure: VSEPR: Octahedron-based shapes (AXnEm, n+m=6)




Arrangement of Electron Pairs AX6 AX5E AX4E2
SF6 IF5 ICl4-

Octahedron
Square Pyramid
Square
SF6 IF5 ICl4-

All these geometries were theoretically found at the DFT-B3LYP level of theory (6-31G(d,p) basis sets for light atoms and Stuttgart ECPs for the heaviest ones)

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