Materials Data on AgTe3I by Materials Project
AgTe3I crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. Ag1+ is bonded to two equivalent Te and two equivalent I1- atoms to form AgTe2I2 tetrahedra that share corners with two equivalent TeAgTe2I2 square pyramids, corners with two equivalent AgTe2I2 tetrahedra, and edges with four equivalent TeAgTe2I2 square pyramids. Both Ag–Te bond lengths are 2.81 Å. Both Ag–I bond lengths are 2.94 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a square co-planar geometry to two equivalent Te and two equivalent I1- atoms. Both Te–Te bond lengths are 2.77 Å. Both Te–I bond lengths are 3.99 Å. In the second Te site, Te is bonded to one Ag1+, two Te, and two equivalent I1- atoms to form distorted TeAgTe2I2 square pyramids that share corners with five equivalent TeAgTe2I2 square pyramids, a cornercorner with one AgTe2I2 tetrahedra, edges with two equivalent AgTe2I2 tetrahedra, and a faceface with one TeAgTe2I2 square pyramid. The Te–Te bond length is 2.83 Å. There are one shorter (3.78 Å) and one longer (3.93 Å) Te–I bond lengths. I1- is bonded in a 2-coordinate geometry to two equivalent Ag1+ and six Te atoms.