Fe4N

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    Arno
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    For FeI:
    There are 3X 4-fold rotation axes. These axes can be chosen as starting from the original FeI in a unit cell to its adjacent FeI’s in the same unit cell. These constitute a PAS and the EFG is the zero tensor due to the second part of theorem 1.

    For FeII:
    1X 4-fold rotation axis pointing from FeII toward N.
    2X 2-fold rotation axes pointing from FeII towards a FeI.
    This constitutes a PAS with the 4-fold being the z-axis. The EFG has axial symmetry.

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