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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Al9Ir2 by Materials Project

Al9Ir2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ir is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ir–Al bond distances ranging from 2.47–2.61 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a linear geometry to two equivalent Ir atoms. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ir atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ir atoms. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Ir atoms. In the fifth Al site, Al is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlIr by Materials Project

IrAl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ir is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ir–Al bond lengths are 2.61 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.

36 MATERIALS SCIENCE↗
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 Al3Ir by Materials Project

IrAl3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded to twelve equivalent Al atoms to form face-sharing IrAl12 cuboctahedra. All Ir–Al bond lengths are 2.66 Å. In the second Ir site, Ir is bonded to twelve equivalent Al atoms to form a mixture of distorted face and edge-sharing IrAl12 cuboctahedra. There are four shorter (2.66 Å) and eight longer (2.81 Å) Ir–Al bond lengths. Al is bonded in a 4-coordinate geometry to four Ir and seven equivalent Al atoms. There are a spread of Al–Al bond distances ranging from 2.55–2.87 Å.

36 MATERIALS SCIENCE↗