Materials Data on TiGaCu by Materials Project

Abstract

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.