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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ScGaIr2 by Materials Project

ScIr2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Sc–Ir bond lengths are 2.71 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.71 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2GaIr by Materials Project

Sc2IrGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ga atoms. All Sc–Ir bond lengths are 2.85 Å. All Sc–Ga bond lengths are 2.85 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc6Ga16Ir7 by Materials Project

Sc6Ir7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Ir and eight Ga atoms. All Sc–Ir bond lengths are 3.16 Å. There are four shorter (2.87 Å) and four longer (2.99 Å) Sc–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Sc and eight Ga atoms to form a mixture of distorted face and corner-sharing IrSc4Ga8 cuboctahedra. There are four shorter (2.56 Å) and four longer (2.73 Å) Ir–Ga bond lengths. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ir–Ga bond lengths are 2.64 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Sc and three equivalent Ir atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Sc and four Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScGa2Ir by Materials Project

ScIrGa2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScIrGa2 ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Ga atoms. Both Sc–Ga bond lengths are 2.79 Å. Ir is bonded in a linear geometry to two equivalent Ga atoms. Both Ir–Ga bond lengths are 2.37 Å. Ga is bonded in a linear geometry to one Sc and one Ir atom.

36 MATERIALS SCIENCE↗