Results for “Cu-I-Te”

Materials Data on CuTe2I by Materials Project

CuITe2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CuITe2 ribbons oriented in the (0, 1, 0) direction. Cu3+ is bonded to two Te1- and two equivalent I1- atoms to form corner-sharing CuTe2I2 tetrahedra. There are one shorter (2.56 Å) and one longer (2.57 Å) Cu–Te bond lengths. There are one shorter (2.64 Å) and one longer (2.67 Å) Cu–I bond lengths. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ atom. In the second Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ atom. I1- is bonded in a distorted water-like geometry to two equivalent Cu3+ atoms.