Materials Data on Cd3Te by Materials Project

Abstract

Cd3Te is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cd sites. In the first Cd site, Cd is bonded to eight Cd and four equivalent Te atoms to form distorted CdCd8Te4 cuboctahedra that share corners with twelve equivalent CdCd8Te4 cuboctahedra, edges with eight equivalent CdCd8Te4 cuboctahedra, edges with eight equivalent TeCd12 cuboctahedra, faces with four equivalent TeCd12 cuboctahedra, and faces with ten equivalent CdCd8Te4 cuboctahedra. There are four shorter (3.20 Å) and four longer (3.41 Å) Cd–Cd bond lengths. All Cd–Te bond lengths are 3.41 Å. In the second Cd site, Cd is bonded in a distorted square co-planar geometry to eight equivalent Cd and four equivalent Te atoms. All Cd–Te bond lengths are 3.20 Å. Te is bonded to twelve Cd atoms to form TeCd12 cuboctahedra that share corners with four equivalent TeCd12 cuboctahedra, edges with eight equivalent TeCd12 cuboctahedra, edges with sixteen equivalent CdCd8Te4 cuboctahedra, faces with four equivalent TeCd12 cuboctahedra, and faces with eight equivalent CdCd8Te4 cuboctahedra.