Materials Data on CuTeSBr by Materials Project

Abstract

CuTeSBr crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu1+ is bonded in a distorted trigonal non-coplanar geometry to one Te2- and two equivalent Br1- atoms. The Cu–Te bond length is 2.54 Å. There are one shorter (2.46 Å) and one longer (2.54 Å) Cu–Br bond lengths. Te2- is bonded in a 5-coordinate geometry to one Cu1+, two equivalent S2+, and two equivalent Br1- atoms. There are one shorter (2.41 Å) and one longer (2.56 Å) Te–S bond lengths. There are one shorter (3.35 Å) and one longer (3.37 Å) Te–Br bond lengths. S2+ is bonded in a water-like geometry to two equivalent Te2- atoms. Br1- is bonded in a distorted water-like geometry to two equivalent Cu1+ and two equivalent Te2- atoms.