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 4-coordinate geometry to six equivalent Cu and five equivalent Ge atoms. There are a spread of Ti–Cu bond distances ranging from 2.89–3.10 Å. There are a spread of Ti–Ge bond distances ranging from 2.57–2.80 Å. Cu is bonded to six equivalent Ti, two equivalent Cu, and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing CuTi6Cu2Ge4 cuboctahedra. Both Cu–Cu bond lengths are 2.56 Å. All Cu–Ge bond lengths are 2.48 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Cu atoms.