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DOE OSTI · 1299817

Materials Data on NbFeB by Materials Project

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Abstract

FeNbB crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nb is bonded to six equivalent Fe and six B atoms to form a mixture of edge and face-sharing NbFe6B6 cuboctahedra. All Nb–Fe bond lengths are 2.59 Å. All Nb–B bond lengths are 2.59 Å. Fe is bonded in a distorted trigonal planar geometry to six equivalent Nb and three B atoms. All Fe–B bond lengths are 2.13 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 3-coordinate geometry to six equivalent Nb and three equivalent Fe atoms. In the second B site, B is bonded in a 3-coordinate geometry to six equivalent Nb and three equivalent Fe atoms.

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36 MATERIALS SCIENCEB-Fe-Nbcrystal structureNbFeB

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2020-07-24. Materials Data on NbFeB by Materials Project. https://doi.org/10.17188/1299817

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36 MATERIALS SCIENCE↗