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DOE OSTI · 1685116

Materials Data on Nb3Si by Materials Project

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Abstract

Nb3Si crystallizes in the orthorhombic Amm2 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 three equivalent Nb and three equivalent Si atoms. There are one shorter (2.83 Å) and two longer (2.84 Å) Nb–Nb bond lengths. All Nb–Si bond lengths are 2.65 Å. In the second Nb site, Nb is bonded to twelve Nb atoms to form a mixture of face, edge, and corner-sharing NbNb12 cuboctahedra. There are four shorter (3.17 Å) and two longer (3.21 Å) Nb–Nb bond lengths. Si is bonded in a 6-coordinate geometry to six equivalent Nb atoms.

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36 MATERIALS SCIENCEcrystal structureNb-SiNb3Si

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2019-01-12. Materials Data on Nb3Si by Materials Project. https://doi.org/10.17188/1685116

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