Materials Data on KZnCuTe2 by Materials Project

Abstract

KCuZnTe2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All K–Te bond lengths are 3.71 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and edges with four equivalent ZnTe4 tetrahedra. All Cu–Te bond lengths are 2.71 Å. Zn2+ is bonded to four equivalent Te2- atoms to form ZnTe4 tetrahedra that share corners with four equivalent ZnTe4 tetrahedra and edges with four equivalent CuTe4 tetrahedra. All Zn–Te bond lengths are 2.71 Å. Te2- is bonded in a 8-coordinate geometry to four equivalent K1+, two equivalent Cu1+, and two equivalent Zn2+ atoms.