Materials Data on CuTe2Cl by Materials Project
CuTe2Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu3+ is bonded to two Te1- and two equivalent Cl1- atoms to form distorted corner-sharing CuTe2Cl2 tetrahedra. There are one shorter (2.55 Å) and one longer (2.56 Å) Cu–Te bond lengths. Both Cu–Cl bond lengths are 2.35 Å. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 5-coordinate geometry to one Cu3+, two equivalent Te1-, and two equivalent Cl1- atoms. There are one shorter (2.73 Å) and one longer (2.89 Å) Te–Te bond lengths. There are one shorter (3.52 Å) and one longer (3.56 Å) Te–Cl bond lengths. In the second Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ and two equivalent Te1- atoms. Cl1- is bonded in a distorted water-like geometry to two equivalent Cu3+ and two equivalent Te1- atoms.