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DOE OSTI · 1275403

Materials Data on Nb2C by Materials Project

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Abstract

Nb2C is beta Vanadium nitride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Nb2+ sites. In the first Nb2+ site, Nb2+ is bonded in a distorted T-shaped geometry to three equivalent C4- atoms. There are two shorter (2.19 Å) and one longer (2.25 Å) Nb–C bond lengths. In the second Nb2+ site, Nb2+ is bonded in a distorted T-shaped geometry to three equivalent C4- atoms. There are two shorter (2.19 Å) and one longer (2.22 Å) Nb–C bond lengths. C4- is bonded to six Nb2+ atoms to form a mixture of corner and edge-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 50°.

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36 MATERIALS SCIENCEC-Nbcrystal structureNb2C

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2020-07-16. Materials Data on Nb2C by Materials Project. https://doi.org/10.17188/1275403

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