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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on U3(Al3Ru)4 by Materials Project

U3(RuAl3)4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 5-coordinate geometry to four equivalent Ru and eleven Al atoms. All U–Ru bond lengths are 3.31 Å. There are a spread of U–Al bond distances ranging from 2.99–3.26 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.36 Å) and six longer (2.57 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent U and eight Al atoms. There are a spread of Ru–Al bond distances ranging from 2.54–2.71 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent U and three Ru atoms. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent U and two equivalent Ru atoms. In the third Al site, Al is bonded in a distorted trigonal planar geometry to three equivalent U and three equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted linear geometry to three equivalent U and two equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UAlRu by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(Al5Ru)2 by Materials Project

URu2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All U–Ru bond lengths are 3.45 Å. There are a spread of U–Al bond distances ranging from 3.15–3.63 Å. Ru is bonded in a 10-coordinate geometry to two equivalent U and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.58–2.74 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent U and two equivalent Ru atoms. In the second Al site, Al is bonded in a 2-coordinate geometry to one U and two equivalent Ru atoms. In the third Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent U and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent U and two equivalent Ru atoms. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one U and two equivalent Ru atoms.

36 MATERIALS SCIENCE↗