Ba₄Fe₅As₈

S = 1/2

Fe

$d_{xy}^{1.37}+d_{xz}^{0.06}+d_{yz}^{1.93}+d_{x^2-y^2}^{1.58}+d_{z^2}^{1.63}$

Fe(n.n.)a

$d_{xy}^{1.03}+d_{xz}^{0.5}+d_{yz}^{1.38}+d_{x^2-y^2}^{1.76}+d_{z^2}^{1.75}$

Fe(n.n.)b

$d_{xy}^{1.56}+d_{xz}^{0.72}+d_{yz}^{1.81}+d_{x^2-y^2}^{1.84}+d_{z^2}^{1.84}$

As(n.n.)

$p_x^{1.6}+p_y^{1.66}+p_z^{1.66}$

Ba₄Fe₄RhAs₈

S = 2

Rh

$d_{xy}^{1.72}+d_{xz}^{1.16}+d_{yz}^{1.45}+d_{x^2-y^2}^{1.29}+d_{z^2}^{1.8}$

$p_x^{0.52}+p_y^{0.63}+p_z^{0.77}$

Fe(n.n.)a

$d_{xy}^{1.11}+d_{xz}^{1.1}+d_{yz}^{1.03}+d_{x^2-y^2}^{1.04}+d_{z^2}^{1.8}$

Fe(n.n.)b

$d_{xy}^{1.01}+d_{xz}^{1.03}+d_{yz}^{1.01}+d_{x^2-y^2}^{1.85}+d_{z^2}^0$

As(n.n.)

$p_x^{1.69}+p_y^{1.5}+p_z^{1.5}$

Ba₄Fe₄PdAs₈

S = 1/2

Pd

$d_{xy}^{1.74}+d_{xz}^{1.71}+d_{yz}^{1.74}+d_{x^2-y^2}^{1.68}+d_{z^2}^{1.93}$

$p_x^{0.66}+p_y^{0.55}+p_z^{0.77}$

Fe(n.n.)a

$d_{xy}^{1.53}+d_{xz}^{1.44}+d_{yz}^{0.98}+d_{x^2-y^2}^{1.15}+d_{z^2}^{1.49}$

Fe(n.n.)b

$d_{xy}^{1.59}+d_{xz}^{0.71}+d_{yz}^{1.78}+d_{x^2-y^2}^{1.82}+d_{z^2}^0$

As(n.n.)

$p_x^{1.5}+p_y^{1.54}+p_z^{1.54}$