Materials Data on TiCuGe by Materials Project

Abstract

TiCuGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Cu and five equivalent Ge atoms. There are a spread of Ti–Cu bond distances ranging from 2.89–2.96 Å. There are a spread of Ti–Ge bond distances ranging from 2.65–2.74 Å. Cu is bonded in a 12-coordinate geometry to six equivalent Ti, two equivalent Cu, and four equivalent Ge atoms. Both Cu–Cu bond lengths are 2.83 Å. There are three shorter (2.41 Å) and one longer (2.49 Å) Cu–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Cu atoms.