Materials Data on CdInAgTe3 by Materials Project

Abstract

AgCdInTe3 is Stannite-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ag1+ is bonded to four Te2- atoms to form AgTe4 tetrahedra that share corners with two equivalent AgTe4 tetrahedra, corners with five equivalent CdTe4 tetrahedra, and corners with five equivalent InTe4 tetrahedra. There are a spread of Ag–Te bond distances ranging from 2.81–2.84 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with two equivalent CdTe4 tetrahedra, corners with five equivalent AgTe4 tetrahedra, and corners with five equivalent InTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.85–2.90 Å. In3+ is bonded to four Te2- atoms to form InTe4 tetrahedra that share corners with two equivalent InTe4 tetrahedra, corners with five equivalent AgTe4 tetrahedra, and corners with five equivalent CdTe4 tetrahedra. There are a spread of In–Te bond distances ranging from 2.81–2.90 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Ag1+, one Cd2+, and one In3+ atom to form corner-sharing TeCdInAg2 tetrahedra. In the second Te2- site, Te2- is bonded to one Ag1+, two equivalent Cd2+, and one In3+ atom to form corner-sharing TeCd2InAg tetrahedra. In the third Te2- site, Te2- is bonded to one Ag1+, one Cd2+, and two equivalent In3+ atoms to form corner-sharing TeCdIn2Ag tetrahedra.