Materials Data on Te2Cl by Materials Project

Abstract

Te2Cl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four Te2Cl ribbons oriented in the (1, 0, 0) direction. there are four inequivalent Te sites. In the first Te site, Te is bonded in a distorted T-shaped geometry to three Te atoms. There are two shorter (2.87 Å) and one longer (3.03 Å) Te–Te bond lengths. In the second Te site, Te is bonded in a distorted L-shaped geometry to two equivalent Te and two equivalent Cl atoms. Both Te–Te bond lengths are 2.85 Å. Both Te–Cl bond lengths are 2.86 Å. In the third Te site, Te is bonded in a distorted L-shaped geometry to two equivalent Te and two equivalent Cl atoms. Both Te–Cl bond lengths are 2.80 Å. In the fourth Te site, Te is bonded in a distorted T-shaped geometry to three Te atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in an L-shaped geometry to two equivalent Te atoms. In the second Cl site, Cl is bonded in an L-shaped geometry to two equivalent Te atoms.