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DOE OSTI · 1280501

Materials Data on Pr4MgCo by Materials Project

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Abstract

MgPr4Co 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 3.16 Å. There are a spread of Mg–Pr bond distances ranging from 3.45–3.67 Å. There are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Pr, and three equivalent Co atoms. All Pr–Pr bond lengths are 3.62 Å. All Pr–Co bond lengths are 2.92 Å. In the second Pr site, Pr is bonded in a 4-coordinate geometry to two equivalent Mg, ten Pr, and two equivalent Co atoms. There are four shorter (3.76 Å) and four longer (3.79 Å) Pr–Pr bond lengths. Both Pr–Co bond lengths are 3.62 Å. In the third Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Pr, and two equivalent Co atoms. Both Pr–Co bond lengths are 2.91 Å. Co is bonded in a 6-coordinate geometry to nine Pr atoms.

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36 MATERIALS SCIENCECo-Mg-Prcrystal structurePr4MgCo

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2020-05-02. Materials Data on Pr4MgCo by Materials Project. https://doi.org/10.17188/1280501

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