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DOE OSTI · 1750470

Materials Data on Nb4Rh2C by Materials Project

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Abstract

Nb4Rh2C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to six equivalent Rh atoms. All Nb–Rh bond lengths are 2.63 Å. In the second Nb site, Nb is bonded in a 2-coordinate geometry to two equivalent Rh and two equivalent C atoms. Both Nb–Rh bond lengths are 2.77 Å. Both Nb–C bond lengths are 2.23 Å. Rh is bonded in a 12-coordinate geometry to six Nb atoms. C is bonded to six equivalent Nb atoms to form corner-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 36°.

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36 MATERIALS SCIENCEC-Nb-Rhcrystal structureNb4Rh2C

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2020-05-04. Materials Data on Nb4Rh2C by Materials Project. https://doi.org/10.17188/1750470

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