CuGaTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Cu(1) is bonded to six equivalent Te(1) atoms to form CuTe6 octahedra that share corners with six equivalent Ga(1)Te6 octahedra, edges with six equivalent Cu(1)Te6 octahedra, and edges with six equivalent Ga(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 4°. Ga(1) is bonded to six equivalent Te(1) atoms to form GaTe6 octahedra that share corners with six equivalent Cu(1)Te6 octahedra, edges with six equivalent Cu(1)Te6 octahedra, and edges with six equivalent Ga(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 4°. Te(1) is bonded to three equivalent Cu(1) and three equivalent Ga(1) atoms to form a mixture of corner and edge-sharing TeGa3Cu3 octahedra. The corner-sharing octahedra are not tilted.
CuGaTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Cu(1) is bonded to six equivalent Te(1) atoms to form CuTe6 octahedra that share corners with six equivalent Ga(1)Te6 octahedra, edges with six equivalent Cu(1)Te6 octahedra, and edges with six equivalent Ga(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Cu(1)-Te(1) bond lengths are 2.79 Å. Ga(1) is bonded to six equivalent Te(1) atoms to form GaTe6 octahedra that share corners with six equivalent Cu(1)Te6 octahedra, edges with six equivalent Cu(1)Te6 octahedra, and edges with six equivalent Ga(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Ga(1)-Te(1) bond lengths are 2.92 Å. Te(1) is bonded to three equivalent Cu(1) and three equivalent Ga(1) atoms to form a mixture of corner and edge-sharing TeGa3Cu3 octahedra. The corner-sharing octahedra are not tilted.