In chemistry, the capped octahedral molecular geometry describes the shape of compounds where seven atoms or groups of atoms or ligands are arranged around a central atom defining the vertices of a gyroelongated triangular pyramid. This shape has C_3v symmetry and is one of the three common shapes for heptacoordinate transition metal complexes, along with the pentagonal bipyramid and the capped trigonal prism.^[1][2]

Examples of the capped octahedral molecular geometry are the heptafluoromolybdate (MoF⁻
₇) and the heptafluorotungstate (WF⁻
₇) ions.^[3][4]

The "distorted octahedral geometry" exhibited by some AX₆E₁ molecules such as xenon hexafluoride (XeF₆) is a variant of this geometry, with the lone pair occupying the "cap" position.