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DOE OSTI · 1745640

Materials Data on Nd5Si3 by Materials Project

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Abstract

Nd5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Nd+2.40+ sites. In the first Nd+2.40+ site, Nd+2.40+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, corner, and face-sharing NdSi6 octahedra. The corner-sharing octahedral tilt angles are 34°. All Nd–Si bond lengths are 3.18 Å. In the second Nd+2.40+ site, Nd+2.40+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Nd–Si bond distances ranging from 3.03–3.58 Å. Si4- is bonded in a 9-coordinate geometry to nine Nd+2.40+ atoms.

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36 MATERIALS SCIENCEcrystal structureNd-SiNd5Si3

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2020-05-02. Materials Data on Nd5Si3 by Materials Project. https://doi.org/10.17188/1745640

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