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DOE OSTI · 1692801

Materials Data on NdCd3 by Materials Project

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Abstract

NdCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to twelve Cd atoms to form a mixture of face and corner-sharing NdCd12 cuboctahedra. There are six shorter (3.24 Å) and six longer (3.39 Å) Nd–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Nd and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.16–3.51 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Nd and eight Cd atoms. Both Cd–Cd bond lengths are 3.16 Å. In the third Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Nd and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.16–3.51 Å.

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36 MATERIALS SCIENCECd-Ndcrystal structureNdCd3

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2020-05-03. Materials Data on NdCd3 by Materials Project. https://doi.org/10.17188/1692801

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