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DOE OSTI · 1712344

Materials Data on UAlRu by Materials Project

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Abstract

URuAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to five Ru atoms. There are one shorter (2.88 Å) and four longer (2.90 Å) U–Ru bond lengths. In the second U site, U is bonded in a 5-coordinate geometry to five Ru atoms. There are a spread of U–Ru bond distances ranging from 2.86–2.92 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 9-coordinate geometry to six U and three Al atoms. All Ru–Al bond lengths are 2.65 Å. In the second Ru site, Ru is bonded in a 9-coordinate geometry to three U and six Al atoms. There are two shorter (2.62 Å) and four longer (2.63 Å) Ru–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four Ru atoms to form a mixture of distorted edge and corner-sharing AlRu4 tetrahedra. In the second Al site, Al is bonded to four Ru atoms to form a mixture of distorted edge and corner-sharing AlRu4 tetrahedra.

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36 MATERIALS SCIENCEAl-Ru-Ucrystal structureUAlRu

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2020-05-02. Materials Data on UAlRu by Materials Project. https://doi.org/10.17188/1712344

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