Neutral counting assigns five electrons to cyclopentadienyl ligand and two to CO. Thus each fragment has valence electrons and contributes three skeletal electrons; each fragment has sixteen and contributes four:
For A the six-pair four-vertex count is the nido count derived from a five-vertex trigonal bipyramid. Removing an axial vertex leaves a tetrahedron: the three equatorial vertices plus the remaining axial vertex. For B the corresponding arachno fragment is obtained by removing both axial vertices from that same parent, leaving a three-metal triangle. Small clusters require specifying the parent and removed vertices; mechanically calling every nido fragment a square pyramid is wrong.
The Fe tetramer is indeed known to have a tetrahedral core, with four face-capping CO groups. The carbon atoms of those carbonyls and the iron atoms form interpenetrating tetrahedra, giving a cubane-like Fe–C connectivity. Bridging rather than terminal CO changes the distribution of local donation, not the total electron count above.[ref]
Place the trigonal axis along , the axial ligands on and the equatorial ligands in the plane. The ordering is . The pair has nodal behaviour along both the equatorial ligand directions and the axial axis, minimizing direct ligand repulsion. The in-plane pair points into the equatorial region. The lobes point at both axial ligands and its torus also samples the equatorial ligands, giving the largest repulsion in the regular point-charge geometry.
Rotation by 120° and reflection in the equatorial plane preserve the geometry; they enforce the indicated doublet degeneracies. The ordering concerns a regular trigonal bipyramid with equivalent ligand-field assumptions, not every distorted five-coordinate complex.