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DOE OSTI · 1758069

Materials Data on Nd4MgRh by Materials Project

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Abstract

MgNd4Rh crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Nd atoms to form a mixture of corner and face-sharing MgNd9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.18 Å. There are a spread of Mg–Nd bond distances ranging from 3.42–3.66 Å. There are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Rh atoms. All Nd–Rh bond lengths are 2.91 Å. In the second Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Rh atoms. Both Nd–Rh bond lengths are 2.91 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Rh atoms. Both Nd–Rh bond lengths are 3.62 Å. Rh is bonded in a 6-coordinate geometry to nine Nd atoms.

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36 MATERIALS SCIENCEcrystal structureMg-Nd-RhNd4MgRh

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2020-09-03. Materials Data on Nd4MgRh by Materials Project. https://doi.org/10.17188/1758069

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