Spin (h)

Valence orbital spin population

Ba₄Fe₅As₈

S = 1/2

Fe

0.72

4s⁰3d^0.71

Fe(n.n.)a

0.03

4s^0.013d^0.04

Fe(n.n.)b

−0.05

4s^0.033d^−0.05

As(n.n.)

0.04

4s⁰4p^0.08

Ba₄Fe₄RhAs₈

S = 2

Rh

1.61

5s^0.014d^1.465p^0.24

Fe(n.n.)a

3.86

4s^0.043d^3.84

Fe(n.n.)b

−4.62

4s^0.143d^−3.88

As(n.n.)

0.18

4s⁰4p^0.37

Ba₄Fe₄PdAs₈

S = 1/2

Pd

0.08

5s^0.014d^−0.085p^0.16

Fe(n.n.)a

−0.03

4s^−0.013d^−0.01

Fe(n.n.)b

0.01

4s^0.023d^0.02

As(n.n.)

0.07

4s^−0.014p^0.06