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DOE OSTI · 1685836

Materials Data on Nd5Ga3 by Materials Project

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Abstract

Nd5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six Ga atoms. There are four shorter (3.15 Å) and two longer (3.65 Å) Nd–Ga bond lengths. In the second Nd site, Nd is bonded to five Ga atoms to form a mixture of distorted edge, face, and corner-sharing NdGa5 trigonal bipyramids. There are three shorter (3.19 Å) and two longer (3.27 Å) Nd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to ten Nd atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Nd and one Ga atom. The Ga–Ga bond length is 2.64 Å.

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36 MATERIALS SCIENCEcrystal structureGa-NdNd5Ga3

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2020-05-03. Materials Data on Nd5Ga3 by Materials Project. https://doi.org/10.17188/1685836

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