NaNiCu3Se4 crystallizes in the cubic P-43m space group. Na(1) is bonded to four equivalent Se(1) atoms to form NaSe4 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 Na(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 Na(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 Na(1), one Ni(1), and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SeNaCu3Ni trigonal bipyramids.
NaNiCu3Se4 crystallizes in the cubic P-43m space group. Na(1) is bonded to four equivalent Se(1) atoms to form NaSe4 tetrahedra that share corners with four equivalent Ni(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. All Na(1)-Se(1) bond lengths are 2.75 Å. Ni(1) is bonded to four equivalent Se(1) atoms to form NiSe4 tetrahedra that share corners with four equivalent Na(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. All Ni(1)-Se(1) bond lengths are 2.31 Å. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Na(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 2.46 Å. Se(1) is bonded to one Na(1), one Ni(1), and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SeNaCu3Ni trigonal bipyramids.