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DOE OSTI · 1315736

Materials Data on Nb3Ru by Materials Project

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Abstract

Nb3Ru is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to four equivalent Nb and four equivalent Ru atoms to form a mixture of distorted corner, edge, and face-sharing NbNb4Ru4 tetrahedra. All Nb–Nb bond lengths are 2.81 Å. All Nb–Ru bond lengths are 2.81 Å. In the second Nb site, Nb is bonded in a 8-coordinate geometry to eight equivalent Nb and six equivalent Ru atoms. All Nb–Ru bond lengths are 3.24 Å. Ru is bonded in a distorted body-centered cubic geometry to fourteen Nb atoms.

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36 MATERIALS SCIENCEcrystal structureNb-RuNb3Ru

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2020-07-24. Materials Data on Nb3Ru by Materials Project. https://doi.org/10.17188/1315736

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