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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Al3Ir by Materials Project

IrAl3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ir is bonded in a 5-coordinate geometry to eleven Al atoms. There are a spread of Ir–Al bond distances ranging from 2.48–2.82 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a trigonal planar geometry to three equivalent Ir and six equivalent Al atoms. All Al–Al bond lengths are 2.82 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to four equivalent Ir and seven Al atoms. There are one shorter (2.66 Å) and three longer (2.77 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2(Al3Ir)3 by Materials Project

Gd2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are a spread of Gd–Ir bond distances ranging from 3.43–3.48 Å. There are a spread of Gd–Al bond distances ranging from 3.05–3.18 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Gd and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.57–2.63 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Gd and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.57–2.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Gd and three Ir atoms. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Gd and two equivalent Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Gd and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Gd and two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2(Al3Ir)3 by Materials Project

Tb2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Tb–Al bond distances ranging from 3.05–3.15 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Al atoms. There are four shorter (2.57 Å) and four longer (2.62 Å) Ir–Al bond lengths. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.56–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tb and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tb, three Ir, and one Al atom. The Al–Al bond length is 2.78 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Tb, three Ir, and five Al atoms. There are one shorter (2.72 Å) and two longer (2.87 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tb, two equivalent Ir, and two equivalent Al atoms.

36 MATERIALS SCIENCE↗