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DOE OSTI · 1666553

Materials Data on Pr7Ru3 by Materials Project

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Abstract

Pr7Ru3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded to four Ru atoms to form a mixture of distorted edge and corner-sharing PrRu4 tetrahedra. There are a spread of Pr–Ru bond distances ranging from 3.00–3.08 Å. In the second Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Ru atoms. There are a spread of Pr–Ru bond distances ranging from 2.92–3.16 Å. In the third Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.84 Å) and one longer (2.88 Å) Pr–Ru bond lengths. In the fourth Pr site, Pr is bonded in a 2-coordinate geometry to three Ru atoms. There are a spread of Pr–Ru bond distances ranging from 2.84–3.43 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 7-coordinate geometry to seven Pr atoms. In the second Ru site, Ru is bonded in a 6-coordinate geometry to eight Pr atoms.

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36 MATERIALS SCIENCEcrystal structurePr-RuPr7Ru3

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2020-05-02. Materials Data on Pr7Ru3 by Materials Project. https://doi.org/10.17188/1666553

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