Neutron powder diffraction of rhombohedral Y2Fe17 and Y2Fe17N3.1

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Abstract
High resolution neutron powder diffraction experiments were carried out on rhombohedral Y2 Fe17 and the nitride Y2 Fe17 N3.1 at 10 K. The diffraction data were analyzed by the recently refined Rietveld method. The results obtained indicate that nitrogen atoms fully occupy the 9e site (99.5%) and that a small amount of N atoms locate at the 18g site (3.9%). The introduction of N atoms into Y2 Fe17 leads to strong modification of the Fe magnetic moments. The magnetic moment of the 18f-Fe atoms which are the nearest to the 9e-N atoms in nitride is the lowest value (∼2.0μB), whereas the 6c-Fe atoms being the farthest from the 9e-N atoms have the highest moment (∼2.9μB). The difference of Fe moments on nonequivalent sites is discussed on the basis of the Fe-Fe and Fe-N bond distances. The obtained results are compared with the results of electronic band-structure calculation.

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