Materials Data on Te2I by Materials Project
TeITe crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four TeITe ribbons oriented in the (1, 0, 0) direction. there are four inequivalent Te sites. In the first Te site, Te is bonded in a rectangular see-saw-like geometry to two equivalent Te and two equivalent I atoms. Both Te–Te bond lengths are 2.92 Å. Both Te–I bond lengths are 3.09 Å. In the second Te site, Te is bonded in a distorted trigonal non-coplanar geometry to three Te atoms. The Te–Te bond length is 2.96 Å. In the third Te site, Te is bonded in a distorted T-shaped geometry to three Te atoms. Both Te–Te bond lengths are 2.90 Å. In the fourth Te site, Te is bonded in a square co-planar geometry to two equivalent Te and two equivalent I atoms. Both Te–I bond lengths are 3.14 Å. There are two inequivalent I sites. In the first I site, I is bonded in an L-shaped geometry to two equivalent Te atoms. In the second I site, I is bonded in an L-shaped geometry to two equivalent Te atoms.