Materials Data on FeCuTe2 by Materials Project

Abstract

CuFeTe2 is lead oxide-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one CuFeTe2 sheet oriented in the (0, 0, 1) direction. Fe3+ is bonded to four equivalent Te2- atoms to form FeTe4 tetrahedra that share corners with four equivalent FeTe4 tetrahedra and edges with four equivalent CuTe4 tetrahedra. All Fe–Te bond lengths are 2.59 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 FeTe4 tetrahedra. All Cu–Te bond lengths are 2.59 Å. Te2- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and two equivalent Cu1+ atoms.