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DOE OSTI · 1701573

Materials Data on Pr2FeSi2Ru by Materials Project

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Abstract

Pr2RuFeSi2 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to two equivalent Ru, two equivalent Fe, and five equivalent Si atoms. Both Pr–Ru bond lengths are 3.06 Å. Both Pr–Fe bond lengths are 3.06 Å. There are four shorter (3.13 Å) and one longer (3.63 Å) Pr–Si bond lengths. Ru is bonded in a 12-coordinate geometry to four equivalent Pr, four equivalent Fe, and four equivalent Si atoms. All Ru–Fe bond lengths are 2.94 Å. All Ru–Si bond lengths are 2.39 Å. Fe is bonded to four equivalent Pr, four equivalent Ru, and four equivalent Si atoms to form a mixture of distorted face and corner-sharing FePr4Si4Ru4 cuboctahedra. All Fe–Si bond lengths are 2.39 Å. Si is bonded in a 2-coordinate geometry to five equivalent Pr, two equivalent Ru, and two equivalent Fe atoms.

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36 MATERIALS SCIENCEcrystal structureFe-Pr-Ru-SiPr2FeSi2Ru

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2020-05-02. Materials Data on Pr2FeSi2Ru by Materials Project. https://doi.org/10.17188/1701573

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