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DOE OSTI · 1722612

Materials Data on NbRh2 by Materials Project

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Abstract

NbRh2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 12-coordinate geometry to nine Rh atoms. There are a spread of Nb–Rh bond distances ranging from 2.70–2.82 Å. In the second Nb site, Nb is bonded in a 9-coordinate geometry to nine Rh atoms. There are a spread of Nb–Rh bond distances ranging from 2.68–2.86 Å. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded to six Nb atoms to form a mixture of distorted edge, corner, and face-sharing RhNb6 cuboctahedra. In the second Rh site, Rh is bonded to four Nb atoms to form a mixture of distorted edge and corner-sharing RhNb4 cuboctahedra. In the third Rh site, Rh is bonded to six Nb atoms to form distorted RhNb6 cuboctahedra that share corners with ten RhNb4 cuboctahedra, edges with nine RhNb6 cuboctahedra, and faces with four RhNb6 cuboctahedra. In the fourth Rh site, Rh is bonded in a distorted water-like geometry to two Nb atoms.

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36 MATERIALS SCIENCEcrystal structureNb-RhNbRh2

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2020-05-03. Materials Data on NbRh2 by Materials Project. https://doi.org/10.17188/1722612

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