Materials Data on BaCuTeF by Materials Project

Abstract

BaCuTeF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent F1- atoms. All Ba–Te bond lengths are 3.59 Å. All Ba–F bond lengths are 2.69 Å. Cu1+ is bonded to four equivalent Te2- atoms to form a mixture of corner and edge-sharing CuTe4 tetrahedra. All Cu–Te bond lengths are 2.69 Å. Te2- is bonded in a 12-coordinate geometry to four equivalent Ba2+ and four equivalent Cu1+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of corner and edge-sharing FBa4 tetrahedra.