Ga3AsTe3 crystallizes in the monoclinic Cm space group. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one As(1), one Te(3), and two equivalent Te(2) atoms to form GaTe3As tetrahedra that share corners with two equivalent Ga(1)Te3As tetrahedra, corners with three equivalent Ga(2)Te3As tetrahedra, and corners with four equivalent Ga(3)Te2As2 tetrahedra. In the second Ga site, Ga(2) is bonded to one As(1), one Te(1), and two equivalent Te(3) atoms to form GaTe3As tetrahedra that share corners with two equivalent Ga(2)Te3As tetrahedra, corners with three equivalent Ga(3)Te2As2 tetrahedra, and corners with three equivalent Ga(1)Te3As tetrahedra. In the third Ga site, Ga(3) is bonded to two equivalent As(1), one Te(1), and one Te(2) atom to form GaTe2As2 tetrahedra that share corners with two equivalent Ga(3)Te2As2 tetrahedra, corners with three equivalent Ga(2)Te3As tetrahedra, and corners with four equivalent Ga(1)Te3As tetrahedra. As(1) is bonded to one Ga(1), one Ga(2), and two equivalent Ga(3) atoms to form corner-sharing AsGa4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a water-like geometry to one Ga(2) and one Ga(3) atom. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one Ga(3) and two equivalent Ga(1) atoms. In the third Te site, Te(3) is bonded in a trigonal non-coplanar geometry to one Ga(1) and two equivalent Ga(2) atoms.
Ga3AsTe3 crystallizes in the monoclinic Cm space group. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one As(1), one Te(3), and two equivalent Te(2) atoms to form GaTe3As tetrahedra that share corners with two equivalent Ga(1)Te3As tetrahedra, corners with three equivalent Ga(2)Te3As tetrahedra, and corners with four equivalent Ga(3)Te2As2 tetrahedra. The Ga(1)-As(1) bond length is 2.51 Å. The Ga(1)-Te(3) bond length is 2.67 Å. Both Ga(1)-Te(2) bond lengths are 2.70 Å. In the second Ga site, Ga(2) is bonded to one As(1), one Te(1), and two equivalent Te(3) atoms to form GaTe3As tetrahedra that share corners with two equivalent Ga(2)Te3As tetrahedra, corners with three equivalent Ga(3)Te2As2 tetrahedra, and corners with three equivalent Ga(1)Te3As tetrahedra. The Ga(2)-As(1) bond length is 2.54 Å. The Ga(2)-Te(1) bond length is 2.58 Å. Both Ga(2)-Te(3) bond lengths are 2.71 Å. In the third Ga site, Ga(3) is bonded to two equivalent As(1), one Te(1), and one Te(2) atom to form GaTe2As2 tetrahedra that share corners with two equivalent Ga(3)Te2As2 tetrahedra, corners with three equivalent Ga(2)Te3As tetrahedra, and corners with four equivalent Ga(1)Te3As tetrahedra. Both Ga(3)-As(1) bond lengths are 2.54 Å. The Ga(3)-Te(1) bond length is 2.60 Å. The Ga(3)-Te(2) bond length is 2.75 Å. As(1) is bonded to one Ga(1), one Ga(2), and two equivalent Ga(3) atoms to form corner-sharing AsGa4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a water-like geometry to one Ga(2) and one Ga(3) atom. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one Ga(3) and two equivalent Ga(1) atoms. In the third Te site, Te(3) is bonded in a trigonal non-coplanar geometry to one Ga(1) and two equivalent Ga(2) atoms.