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DOE OSTI · 1275625

Materials Data on Nb5Ga3 by Materials Project

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Abstract

Nb5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Nb–Ga bond distances ranging from 2.74–2.96 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to two equivalent Nb and four equivalent Ga atoms. Both Nb–Nb bond lengths are 2.55 Å. All Nb–Ga bond lengths are 2.74 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to ten Nb atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.55 Å.

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36 MATERIALS SCIENCEcrystal structureGa-NbNb5Ga3

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2020-07-15. Materials Data on Nb5Ga3 by Materials Project. https://doi.org/10.17188/1275625

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