CuGaS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with eight equivalent Ga(1)S4 tetrahedra. Ga(1) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Ga(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. S(1) is bonded to two equivalent Cu(1) and two equivalent Ga(1) atoms to form corner-sharing SGa2Cu2 tetrahedra.
CuGaS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and corners with eight equivalent Ga(1)S4 tetrahedra. All Cu(1)-S(1) bond lengths are 2.29 Å. Ga(1) is bonded to four equivalent S(1) atoms to form GaS4 tetrahedra that share corners with four equivalent Ga(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. All Ga(1)-S(1) bond lengths are 2.29 Å. S(1) is bonded to two equivalent Cu(1) and two equivalent Ga(1) atoms to form corner-sharing SGa2Cu2 tetrahedra.