KCoCu3Se4 crystallizes in the cubic P-43m space group. K(1) is bonded to four equivalent Se(1) atoms to form KSe4 tetrahedra that share corners with four equivalent Co(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Co(1) is bonded to four equivalent Se(1) atoms to form CoSe4 tetrahedra that share corners with four equivalent K(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent K(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Co(1)Se4 tetrahedra. Se(1) is bonded to one K(1), one Co(1), and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SeKCoCu3 trigonal bipyramids.
KCoCu3Se4 crystallizes in the cubic P-43m space group. K(1) is bonded to four equivalent Se(1) atoms to form KSe4 tetrahedra that share corners with four equivalent Co(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. All K(1)-Se(1) bond lengths are 2.96 Å. Co(1) is bonded to four equivalent Se(1) atoms to form CoSe4 tetrahedra that share corners with four equivalent K(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. All Co(1)-Se(1) bond lengths are 2.26 Å. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent K(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Co(1)Se4 tetrahedra. All Cu(1)-Se(1) bond lengths are 2.51 Å. Se(1) is bonded to one K(1), one Co(1), and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SeKCoCu3 trigonal bipyramids.