Ti4AgCu crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to four equivalent Ti(1), four equivalent Ti(2), and four equivalent Ag(1) atoms to form distorted TiTi8Ag4 cuboctahedra that share corners with eight equivalent Ti(1)Ti8Ag4 cuboctahedra, edges with four equivalent Ti(1)Ti8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Ti8Ag4 cuboctahedra, faces with four equivalent Ag(1)Ti8Ag4 cuboctahedra, and faces with nine equivalent Ti(1)Ti8Ag4 cuboctahedra. In the second Ti site, Ti(2) is bonded in a 4-coordinate geometry to four equivalent Ti(1) and four equivalent Cu(1) atoms. Ag(1) is bonded to eight equivalent Ti(1) and four equivalent Ag(1) atoms to form distorted AgTi8Ag4 cuboctahedra that share corners with four equivalent Ag(1)Ti8Ag4 cuboctahedra, edges with sixteen equivalent Ti(1)Ti8Ag4 cuboctahedra, faces with eight equivalent Ti(1)Ti8Ag4 cuboctahedra, and faces with eight equivalent Ag(1)Ti8Ag4 cuboctahedra. Cu(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ti(2) atoms.
Ti4AgCu crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to four equivalent Ti(1), four equivalent Ti(2), and four equivalent Ag(1) atoms to form distorted TiTi8Ag4 cuboctahedra that share corners with eight equivalent Ti(1)Ti8Ag4 cuboctahedra, edges with four equivalent Ti(1)Ti8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Ti8Ag4 cuboctahedra, faces with four equivalent Ag(1)Ti8Ag4 cuboctahedra, and faces with nine equivalent Ti(1)Ti8Ag4 cuboctahedra. All Ti(1)-Ti(1) bond lengths are 2.93 Å. All Ti(1)-Ti(2) bond lengths are 2.80 Å. All Ti(1)-Ag(1) bond lengths are 2.91 Å. In the second Ti site, Ti(2) is bonded in a 4-coordinate geometry to four equivalent Ti(1) and four equivalent Cu(1) atoms. All Ti(2)-Cu(1) bond lengths are 2.69 Å. Ag(1) is bonded to eight equivalent Ti(1) and four equivalent Ag(1) atoms to form distorted AgTi8Ag4 cuboctahedra that share corners with four equivalent Ag(1)Ti8Ag4 cuboctahedra, edges with sixteen equivalent Ti(1)Ti8Ag4 cuboctahedra, faces with eight equivalent Ti(1)Ti8Ag4 cuboctahedra, and faces with eight equivalent Ag(1)Ti8Ag4 cuboctahedra. All Ag(1)-Ag(1) bond lengths are 2.93 Å. Cu(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ti(2) atoms.