Materials Data on TiAg by Materials Project

Abstract

TiAg crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Ag atoms to form distorted TiTi8Ag4 cuboctahedra that share corners with four equivalent TiTi8Ag4 cuboctahedra, corners with eight equivalent AgTi4Ag8 cuboctahedra, edges with eight equivalent TiTi8Ag4 cuboctahedra, edges with sixteen equivalent AgTi4Ag8 cuboctahedra, faces with six equivalent AgTi4Ag8 cuboctahedra, and faces with twelve equivalent TiTi8Ag4 cuboctahedra. There are four shorter (2.79 Å) and four longer (2.92 Å) Ti–Ti bond lengths. All Ti–Ag bond lengths are 2.96 Å. Ag is bonded to four equivalent Ti and eight equivalent Ag atoms to form distorted AgTi4Ag8 cuboctahedra that share corners with four equivalent AgTi4Ag8 cuboctahedra, corners with eight equivalent TiTi8Ag4 cuboctahedra, edges with eight equivalent AgTi4Ag8 cuboctahedra, edges with sixteen equivalent TiTi8Ag4 cuboctahedra, faces with six equivalent TiTi8Ag4 cuboctahedra, and faces with twelve equivalent AgTi4Ag8 cuboctahedra. There are four shorter (2.92 Å) and four longer (2.98 Å) Ag–Ag bond lengths.