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DOE OSTI · 1309371

Materials Data on Pr5Al2Ru3 by Materials Project

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Abstract

Pr5Ru3Al2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to four equivalent Ru and four equivalent Al atoms. There are two shorter (2.82 Å) and two longer (3.36 Å) Pr–Ru bond lengths. There are two shorter (3.28 Å) and two longer (3.40 Å) Pr–Al bond lengths. In the second Pr site, Pr is bonded to three equivalent Ru and one Al atom to form distorted corner-sharing PrAlRu3 tetrahedra. All Pr–Ru bond lengths are 2.97 Å. The Pr–Al bond length is 3.25 Å. Ru is bonded in a 8-coordinate geometry to six Pr and two equivalent Al atoms. Both Ru–Al bond lengths are 2.64 Å. Al is bonded in a 3-coordinate geometry to seven Pr and three equivalent Ru atoms.

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36 MATERIALS SCIENCEAl-Pr-Rucrystal structurePr5Al2Ru3

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2020-07-15. Materials Data on Pr5Al2Ru3 by Materials Project. https://doi.org/10.17188/1309371

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