CuInTe2 is Theoretical Carbon Structure-derived structured and crystallizes in the trigonal R3m space group. Cu(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form CuTe4 tetrahedra that share corners with six equivalent Cu(1)Te4 tetrahedra and corners with six equivalent In(1)Te4 tetrahedra. In(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form InTe4 tetrahedra that share corners with six equivalent Cu(1)Te4 tetrahedra and corners with six equivalent In(1)Te4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cu(1) and three equivalent In(1) atoms to form TeIn3Cu tetrahedra that share corners with six equivalent Te(1)In3Cu tetrahedra and corners with six equivalent Te(2)InCu3 tetrahedra. In the second Te site, Te(2) is bonded to three equivalent Cu(1) and one In(1) atom to form TeInCu3 tetrahedra that share corners with six equivalent Te(1)In3Cu tetrahedra and corners with six equivalent Te(2)InCu3 tetrahedra.
CuInTe2 is Theoretical Carbon Structure-derived structured and crystallizes in the trigonal R3m space group. Cu(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form CuTe4 tetrahedra that share corners with six equivalent Cu(1)Te4 tetrahedra and corners with six equivalent In(1)Te4 tetrahedra. The Cu(1)-Te(1) bond length is 2.65 Å. All Cu(1)-Te(2) bond lengths are 2.62 Å. In(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form InTe4 tetrahedra that share corners with six equivalent Cu(1)Te4 tetrahedra and corners with six equivalent In(1)Te4 tetrahedra. The In(1)-Te(2) bond length is 2.77 Å. All In(1)-Te(1) bond lengths are 2.90 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cu(1) and three equivalent In(1) atoms to form TeIn3Cu tetrahedra that share corners with six equivalent Te(1)In3Cu tetrahedra and corners with six equivalent Te(2)InCu3 tetrahedra. In the second Te site, Te(2) is bonded to three equivalent Cu(1) and one In(1) atom to form TeInCu3 tetrahedra that share corners with six equivalent Te(1)In3Cu tetrahedra and corners with six equivalent Te(2)InCu3 tetrahedra.