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DOE OSTI · 1656088

Materials Data on CrN2 by Materials Project

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Abstract

CrN2 is High (Orthorhombic) Tridymite-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is one shorter (1.70 Å) and three longer (1.74 Å) Cr–N bond length. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is three shorter (1.72 Å) and one longer (1.75 Å) Cr–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms.

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36 MATERIALS SCIENCECr-NCrN2crystal structure

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2020-05-02. Materials Data on CrN2 by Materials Project. https://doi.org/10.17188/1656088

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