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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on UAlIr by Materials Project

UIrAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. U is bonded in a 5-coordinate geometry to five Ir atoms. There are one shorter (2.91 Å) and four longer (2.92 Å) U–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent U and six equivalent Al atoms. All Ir–Al bond lengths are 2.63 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent U and three equivalent Al atoms. All Ir–Al bond lengths are 2.70 Å. Al is bonded to four Ir atoms to form a mixture of distorted edge and corner-sharing AlIr4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2(Al3Ir)3 by Materials Project

U2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are four shorter (3.43 Å) and two longer (3.46 Å) U–Ir bond lengths. There are a spread of U–Al bond distances ranging from 3.04–3.17 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent U and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.56–2.65 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent U and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.54–2.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent U and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent U and three Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent U and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent U and two equivalent Ir atoms.

36 MATERIALS SCIENCE↗