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DOE OSTI · 1689049

Materials Data on Pr4MgRh by Materials Project

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Abstract

MgPr4Rh crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Pr atoms to form a mixture of corner and face-sharing MgPr9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.21 Å. There are a spread of Mg–Pr bond distances ranging from 3.45–3.68 Å. There are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Rh atoms. All Pr–Rh bond lengths are 2.93 Å. In the second Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Rh atoms. Both Pr–Rh bond lengths are 2.94 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Rh atoms. Both Pr–Rh bond lengths are 3.65 Å. Rh is bonded in a 6-coordinate geometry to nine Pr atoms.

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36 MATERIALS SCIENCEcrystal structureMg-Pr-RhPr4MgRh

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2020-04-30. Materials Data on Pr4MgRh by Materials Project. https://doi.org/10.17188/1689049

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