ZnGa2Te4 crystallizes in the tetragonal I-4m2 space group. Zn(1) is bonded to two equivalent Te(2) and four Te(1,1) atoms to form ZnTe6 octahedra that share corners with two equivalent Ga(1)Te6 octahedra, corners with four equivalent Zn(1)Te6 octahedra, edges with four equivalent Ga(1)Te6 octahedra, and edges with four equivalent Ga(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two Te(2,2) and four Te(1,1) atoms to form GaTe6 octahedra that share corners with two equivalent Zn(1)Te6 octahedra, corners with four equivalent Ga(1)Te6 octahedra, edges with four equivalent Zn(1)Te6 octahedra, and edges with four equivalent Ga(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Ga site, Ga(2) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form GaTe6 octahedra that share corners with four equivalent Ga(2)Te6 octahedra, edges with four equivalent Zn(1)Te6 octahedra, and edges with four equivalent Ga(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Zn(1), one Ga(2), and two equivalent Ga(1) atoms to form a mixture of corner and edge-sharing TeZn2Ga3 square pyramids. In the second Te site, Te(2) is bonded in a square co-planar geometry to one Zn(1), one Ga(1), and two equivalent Ga(2) atoms. In the third Te site, Te(1) is bonded to two equivalent Zn(1), one Ga(2), and two equivalent Ga(1) atoms to form a mixture of corner and edge-sharing TeZn2Ga3 square pyramids. In the fourth Te site, Te(2) is bonded in a square co-planar geometry to one Zn(1), one Ga(1), and two equivalent Ga(2) atoms.
ZnGa2Te4 crystallizes in the tetragonal I-4m2 space group. Zn(1) is bonded to two equivalent Te(2) and four Te(1,1) atoms to form ZnTe6 octahedra that share corners with two equivalent Ga(1)Te6 octahedra, corners with four equivalent Zn(1)Te6 octahedra, edges with four equivalent Ga(1)Te6 octahedra, and edges with four equivalent Ga(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Both Zn(1)-Te(2) bond lengths are 2.80 Å. All Zn(1)-Te(1,1) bond lengths are 2.91 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two Te(2,2) and four Te(1,1) atoms to form GaTe6 octahedra that share corners with two equivalent Zn(1)Te6 octahedra, corners with four equivalent Ga(1)Te6 octahedra, edges with four equivalent Zn(1)Te6 octahedra, and edges with four equivalent Ga(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Both Ga(1)-Te(2,2) bond lengths are 2.84 Å. All Ga(1)-Te(1,1) bond lengths are 2.91 Å. In the second Ga site, Ga(2) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form GaTe6 octahedra that share corners with four equivalent Ga(2)Te6 octahedra, edges with four equivalent Zn(1)Te6 octahedra, and edges with four equivalent Ga(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 1°. Both Ga(2)-Te(1) bond lengths are 2.79 Å. All Ga(2)-Te(2) bond lengths are 2.91 Å. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Zn(1), one Ga(2), and two equivalent Ga(1) atoms to form a mixture of corner and edge-sharing TeZn2Ga3 square pyramids. In the second Te site, Te(2) is bonded in a square co-planar geometry to one Zn(1), one Ga(1), and two equivalent Ga(2) atoms. In the third Te site, Te(1) is bonded to two equivalent Zn(1), one Ga(2), and two equivalent Ga(1) atoms to form a mixture of corner and edge-sharing TeZn2Ga3 square pyramids. The Te(1)-Ga(2) bond length is 2.79 Å. In the fourth Te site, Te(2) is bonded in a square co-planar geometry to one Zn(1), one Ga(1), and two equivalent Ga(2) atoms. The Te(2)-Zn(1) bond length is 2.80 Å. Both Te(2)-Ga(2) bond lengths are 2.91 Å.