Materials Data on Ti2Cd by Materials Project

Abstract

Ti2Cd is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Cd atoms to form TiTi8Cd4 cuboctahedra that share corners with four equivalent CdTi8Cd4 cuboctahedra, corners with eight equivalent TiTi8Cd4 cuboctahedra, edges with twelve equivalent TiTi8Cd4 cuboctahedra, edges with twelve equivalent CdTi8Cd4 cuboctahedra, faces with five equivalent CdTi8Cd4 cuboctahedra, and faces with thirteen equivalent TiTi8Cd4 cuboctahedra. There are four shorter (2.81 Å) and four longer (2.86 Å) Ti–Ti bond lengths. All Ti–Cd bond lengths are 3.15 Å. Cd is bonded to eight equivalent Ti and four equivalent Cd atoms to form CdTi8Cd4 cuboctahedra that share corners with four equivalent CdTi8Cd4 cuboctahedra, corners with eight equivalent TiTi8Cd4 cuboctahedra, edges with twenty-four equivalent TiTi8Cd4 cuboctahedra, faces with eight equivalent CdTi8Cd4 cuboctahedra, and faces with ten equivalent TiTi8Cd4 cuboctahedra. All Cd–Cd bond lengths are 2.86 Å.