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DOE OSTI · 1686715

Materials Data on NbBRh3 by Materials Project

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Abstract

NbRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Rh atoms to form NbRh12 cuboctahedra that share corners with twelve equivalent NbRh12 cuboctahedra, faces with six equivalent NbRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Nb–Rh bond lengths are 2.91 Å. Rh is bonded to four equivalent Nb and two equivalent B atoms to form a mixture of distorted corner, edge, and face-sharing RhNb4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.06 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent NbRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEB-Nb-Rhcrystal structureNbBRh3

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2020-05-02. Materials Data on NbBRh3 by Materials Project. https://doi.org/10.17188/1686715

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36 MATERIALS SCIENCE↗