Materials Data on CdTe2Pb by Materials Project

Abstract

CdPbTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cd2+ is bonded to six Te2- atoms to form CdTe6 octahedra that share corners with six equivalent CdTe6 octahedra, edges with four equivalent CdTe6 octahedra, and edges with eight equivalent PbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–Te bond lengths are 3.18 Å. Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share corners with six equivalent PbTe6 octahedra, edges with four equivalent PbTe6 octahedra, and edges with eight equivalent CdTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–Te bond lengths are 3.18 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Cd2+ and four equivalent Pb2+ atoms to form a mixture of corner and edge-sharing TeCd2Pb4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to four equivalent Cd2+ and two equivalent Pb2+ atoms to form TeCd4Pb2 octahedra that share corners with six equivalent TeCd4Pb2 octahedra and edges with twelve TeCd2Pb4 octahedra. The corner-sharing octahedral tilt angles are 0°.