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DOE OSTI · 1752090

Materials Data on Pr7Ir3 by Materials Project

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Abstract

Pr7Ir3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ir atoms. All Pr–Ir bond lengths are 2.91 Å. In the second Pr site, Pr is bonded in a distorted water-like geometry to two equivalent Ir atoms. Both Pr–Ir bond lengths are 2.94 Å. In the third Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Ir atoms. There are one shorter (2.97 Å) and two longer (2.99 Å) Pr–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to six Pr atoms.

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36 MATERIALS SCIENCEcrystal structureIr-PrPr7Ir3

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2020-05-02. Materials Data on Pr7Ir3 by Materials Project. https://doi.org/10.17188/1752090

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