The PAS in the different iron atoms

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    The Fe-I atoms have 3 4-fold rotation axes, The means that the nuclei have an EFG of 0 and that the PAS is just connecting the neighbouring Fe-I atoms.

    The Fe-II atoms have 2 2-fold rotations axes, and one 4-fold rotation axis. The makes the problem axial symmetric so that eta becomes 0, but not the total EFG in the nuclei. The PAS is in the same orientation as for the FE-I atoms

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