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DOE OSTI · 1677108

Materials Data on NbCrN2 by Materials Project

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Abstract

CrNbN2 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CrNbN2 sheet oriented in the (0, 0, 1) direction. Nb3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are four shorter (2.19 Å) and four longer (2.26 Å) Nb–N bond lengths. Cr3+ is bonded in a single-bond geometry to one N3- atom. The Cr–N bond length is 1.86 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to four equivalent Nb3+ and one Cr3+ atom. In the second N3- site, N3- is bonded in a 4-coordinate geometry to four equivalent Nb3+ atoms.

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36 MATERIALS SCIENCECr-N-Nbcrystal structureNbCrN2

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2020-05-03. Materials Data on NbCrN2 by Materials Project. https://doi.org/10.17188/1677108

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