CaNiCu3Se4 crystallizes in the cubic P-43m space group. Ca(1) is bonded to four equivalent Se(1) atoms to form CaSe4 tetrahedra that share corners with four equivalent Ni(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Ni(1) is bonded to four equivalent Se(1) atoms to form NiSe4 tetrahedra that share corners with four equivalent Ca(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Ca(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Ni(1)Se4 tetrahedra. Se(1) is bonded to one Ca(1), one Ni(1), and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SeCaCu3Ni trigonal bipyramids.
CaNiCu3Se4 crystallizes in the cubic P-43m space group. Ca(1) is bonded to four equivalent Se(1) atoms to form CaSe4 tetrahedra that share corners with four equivalent Ni(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. All Ca(1)-Se(1) bond lengths are 2.76 Å. Ni(1) is bonded to four equivalent Se(1) atoms to form NiSe4 tetrahedra that share corners with four equivalent Ca(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. All Ni(1)-Se(1) bond lengths are 2.33 Å. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Ca(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Ni(1)Se4 tetrahedra. All Cu(1)-Se(1) bond lengths are 2.48 Å. Se(1) is bonded to one Ca(1), one Ni(1), and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SeCaCu3Ni trigonal bipyramids.