Materials Data on Cd4Te5Pb by Materials Project

Abstract

Cd4PbTe5 is Enargite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with four equivalent PbTe4 tetrahedra and corners with eight CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.87–2.91 Å. In the second Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share a cornercorner with one PbTe4 tetrahedra and corners with eleven CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.87–2.89 Å. Pb2+ is bonded to four Te2- atoms to form PbTe4 tetrahedra that share corners with two equivalent PbTe4 tetrahedra and corners with ten CdTe4 tetrahedra. There are two shorter (3.12 Å) and two longer (3.18 Å) Pb–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three Cd2+ and one Pb2+ atom to form corner-sharing TeCd3Pb tetrahedra. In the second Te2- site, Te2- is bonded to four Cd2+ atoms to form corner-sharing TeCd4 tetrahedra. In the third Te2- site, Te2- is bonded to two equivalent Cd2+ and two equivalent Pb2+ atoms to form corner-sharing TeCd2Pb2 tetrahedra.