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DOE OSTI · 1662447

Materials Data on Pr3Ir by Materials Project

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Abstract

Pr3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pr3Ir sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.93 Å) and one longer (2.97 Å) Pr–Ir bond lengths. In the second Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.92 Å) and one longer (3.01 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-PrPr3Ir

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2020-07-15. Materials Data on Pr3Ir by Materials Project. https://doi.org/10.17188/1662447

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