Materials Data on Ti3Ga by Materials Project

Abstract

Ti3Ga is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Ga atoms to form TiTi8Ga4 cuboctahedra that share corners with four equivalent GaTi12 cuboctahedra, corners with fourteen equivalent TiTi8Ga4 cuboctahedra, edges with six equivalent GaTi12 cuboctahedra, edges with twelve equivalent TiTi8Ga4 cuboctahedra, faces with four equivalent GaTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Ga4 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.80–2.90 Å. There are two shorter (2.83 Å) and two longer (2.85 Å) Ti–Ga bond lengths. Ga is bonded to twelve equivalent Ti atoms to form GaTi12 cuboctahedra that share corners with six equivalent GaTi12 cuboctahedra, corners with twelve equivalent TiTi8Ga4 cuboctahedra, edges with eighteen equivalent TiTi8Ga4 cuboctahedra, faces with eight equivalent GaTi12 cuboctahedra, and faces with twelve equivalent TiTi8Ga4 cuboctahedra.