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DOE OSTI · 1690932

Materials Data on VCrN2 by Materials Project

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Abstract

VCrN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. V3+ is bonded to six equivalent N3- atoms to form VN6 octahedra that share corners with six equivalent CrN6 octahedra, edges with six equivalent VN6 octahedra, and edges with six equivalent CrN6 octahedra. The corner-sharing octahedral tilt angles are 1°. All V–N bond lengths are 2.09 Å. Cr3+ is bonded to six equivalent N3- atoms to form CrN6 octahedra that share corners with six equivalent VN6 octahedra, edges with six equivalent VN6 octahedra, and edges with six equivalent CrN6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Cr–N bond lengths are 2.06 Å. N3- is bonded to three equivalent V3+ and three equivalent Cr3+ atoms to form a mixture of edge and corner-sharing NV3Cr3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCECr-N-Vcrystal structureVCrN2

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2020-06-05. Materials Data on VCrN2 by Materials Project. https://doi.org/10.17188/1690932

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