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DOE OSTI · 1313171

Materials Data on MnMoN2 by Materials Project

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Abstract

MoMnN2 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent N3- atoms to form distorted MoN6 pentagonal pyramids that share corners with twelve equivalent MnN6 octahedra, edges with six equivalent MoN6 pentagonal pyramids, and faces with two equivalent MnN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Mo–N bond lengths are 2.15 Å. Mn2+ is bonded to six equivalent N3- atoms to form MnN6 octahedra that share corners with twelve equivalent MoN6 pentagonal pyramids, edges with six equivalent MnN6 octahedra, and faces with two equivalent MoN6 pentagonal pyramids. All Mn–N bond lengths are 2.10 Å. N3- is bonded in a 6-coordinate geometry to three equivalent Mo4+ and three equivalent Mn2+ atoms.

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36 MATERIALS SCIENCEcrystal structureMn-Mo-NMnMoN2

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2020-07-15. Materials Data on MnMoN2 by Materials Project. https://doi.org/10.17188/1313171

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