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The structure and properties of a metal-rich nitride, Ni2Mo3N is reported. This compound belongs to a rare class of interstitial compounds that crystallize in a filled β-Mn structure. The structure consists of corner-sharing distorted NMo6 octahedra, as shown here in a side view. The nickel atoms are located in a pseudo-icosahedral coordination (Ni[Mo9Ni3]) and the molybdenum atoms in pseudo-tetradecahedral (Mo[N2Ni6Mo6]) coordination.
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Herle et al. (1998) studied this question.
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