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DOE OSTI · 1318971

Materials Data on TeN2 by Materials Project

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Abstract

N2Te is beta Vanadium nitride-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted T-shaped geometry to three equivalent Te6+ atoms. There are one shorter (2.04 Å) and two longer (2.08 Å) N–Te bond lengths. In the second N3- site, N3- is bonded in a distorted T-shaped geometry to three equivalent Te6+ atoms. There are a spread of N–Te bond distances ranging from 2.04–2.08 Å. Te6+ is bonded to six N3- atoms to form a mixture of distorted corner and edge-sharing TeN6 octahedra. The corner-sharing octahedral tilt angles are 28°.

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36 MATERIALS SCIENCEcrystal structureN-TeTeN2

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2020-07-18. Materials Data on TeN2 by Materials Project. https://doi.org/10.17188/1318971

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