Materials Data on CuTeSCl by Materials Project

Abstract

CuTeSCl 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 Cl1- atoms. The Cu–Te bond length is 2.53 Å. There are one shorter (2.31 Å) and one longer (2.40 Å) Cu–Cl bond lengths. Te2- is bonded in a 5-coordinate geometry to one Cu1+, two equivalent S2+, and two equivalent Cl1- atoms. There are one shorter (2.39 Å) and one longer (2.58 Å) Te–S bond lengths. There are one shorter (3.25 Å) and one longer (3.32 Å) Te–Cl bond lengths. S2+ is bonded in a distorted water-like geometry to two equivalent Te2- atoms. Cl1- is bonded in a distorted water-like geometry to two equivalent Cu1+ and two equivalent Te2- atoms.