KLaCuTe4 crystallizes in the tetragonal P4/nmm space group. K(1) is bonded to four equivalent Cu(1), four equivalent Te(1), and four equivalent Te(3) atoms to form distorted KCu4Te8 cuboctahedra that share corners with four equivalent K(1)Cu4Te8 cuboctahedra, corners with eight equivalent Cu(1)K4Te4 tetrahedra, edges with four equivalent K(1)Cu4Te8 cuboctahedra, edges with four equivalent Cu(1)K4Te4 tetrahedra, and faces with four equivalent K(1)Cu4Te8 cuboctahedra. La(1) is bonded in a 9-coordinate geometry to four equivalent Te(1) and five equivalent Te(2) atoms. Cu(1) is bonded to four equivalent K(1) and four equivalent Te(3) atoms to form distorted CuK4Te4 tetrahedra that share corners with eight equivalent K(1)Cu4Te8 cuboctahedra, edges with four equivalent K(1)Cu4Te8 cuboctahedra, edges with four equivalent Cu(1)K4Te4 tetrahedra, and faces with four equivalent Cu(1)K4Te4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent La(1), and four equivalent Te(1) atoms. In the second Te site, Te(2) is bonded to five equivalent La(1) atoms to form a mixture of distorted edge and corner-sharing TeLa5 trigonal bipyramids. In the third Te site, Te(3) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Cu(1) atoms.
KLaCuTe4 crystallizes in the tetragonal P4/nmm space group. K(1) is bonded to four equivalent Cu(1), four equivalent Te(1), and four equivalent Te(3) atoms to form distorted KCu4Te8 cuboctahedra that share corners with four equivalent K(1)Cu4Te8 cuboctahedra, corners with eight equivalent Cu(1)K4Te4 tetrahedra, edges with four equivalent K(1)Cu4Te8 cuboctahedra, edges with four equivalent Cu(1)K4Te4 tetrahedra, and faces with four equivalent K(1)Cu4Te8 cuboctahedra. All K(1)-Cu(1) bond lengths are 3.69 Å. All K(1)-Te(1) bond lengths are 3.73 Å. All K(1)-Te(3) bond lengths are 3.49 Å. La(1) is bonded in a 9-coordinate geometry to four equivalent Te(1) and five equivalent Te(2) atoms. All La(1)-Te(1) bond lengths are 3.40 Å. There are four shorter (3.31 Å) and one longer (3.41 Å) La(1)-Te(2) bond length. Cu(1) is bonded to four equivalent K(1) and four equivalent Te(3) atoms to form distorted CuK4Te4 tetrahedra that share corners with eight equivalent K(1)Cu4Te8 cuboctahedra, edges with four equivalent K(1)Cu4Te8 cuboctahedra, edges with four equivalent Cu(1)K4Te4 tetrahedra, and faces with four equivalent Cu(1)K4Te4 tetrahedra. All Cu(1)-Te(3) bond lengths are 2.69 Å. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent La(1), and four equivalent Te(1) atoms. All Te(1)-Te(1) bond lengths are 3.18 Å. In the second Te site, Te(2) is bonded to five equivalent La(1) atoms to form a mixture of distorted edge and corner-sharing TeLa5 trigonal bipyramids. In the third Te site, Te(3) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Cu(1) atoms.