Rotation axes Fe4N

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    Fe-I: If the yellow arrow denotes the z-axis then there is a 4-fold rotation axis along the z-axis. There are 2 2-fold rotation axes along the x and y directions. I think the body diagonal is maybe also a 2-fold rotation axis. The 4-fold rotation axis is then chosen as the z-axis of the PAS and eta=0.

    Fe-IIa: I think the exact same can be said as for Fe-I except for the body diagonal.

    Fe-IIb: Again, the z-axis (yellow arrow) is a 4-fold rotation axis. Also the x and y directions are again 2-fold rotation axes. If you draw the diagonals of the plane where the Fe-IIb atom is, you see that both diagonals are also 2-fold rotation axes.

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