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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TiGaCu2 by Materials Project

TiCu2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Cu and six equivalent Ga atoms. All Ti–Cu bond lengths are 2.61 Å. All Ti–Ga bond lengths are 3.01 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ga atoms. All Cu–Ga bond lengths are 2.61 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiGaCu by Materials Project

CuGaTi crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ti is bonded in a 9-coordinate geometry to two equivalent Ti, six equivalent Cu, and six equivalent Ga atoms. There are one shorter (2.63 Å) and one longer (2.91 Å) Ti–Ti bond lengths. There are three shorter (2.79 Å) and three longer (2.80 Å) Ti–Cu bond lengths. There are three shorter (2.81 Å) and three longer (2.93 Å) Ti–Ga bond lengths. Cu is bonded in a 11-coordinate geometry to six equivalent Ti, three equivalent Cu, and two equivalent Ga atoms. All Cu–Cu bond lengths are 2.47 Å. There are one shorter (2.64 Å) and one longer (2.90 Å) Cu–Ga bond lengths. Ga is bonded in a 11-coordinate geometry to six equivalent Ti, two equivalent Cu, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiGaCu2 by Materials Project

TiCu2Ga crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiCu2Ga ribbons oriented in the (0, 1, 0) direction. Ti is bonded in a linear geometry to two equivalent Cu atoms. Both Ti–Cu bond lengths are 2.56 Å. Cu is bonded in a linear geometry to one Ti and one Ga atom. The Cu–Ga bond length is 2.43 Å. Ga is bonded in a linear geometry to two equivalent Cu atoms.

36 MATERIALS SCIENCE↗