NaCu3PbSe4 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 twelve equivalent Cu(1)Pb2Se4 tetrahedra. Cu(1) is bonded to two equivalent Pb(1) and four equivalent Se(1) atoms to form distorted CuPb2Se4 tetrahedra that share corners with two equivalent Cu(1)Pb2Se4 tetrahedra, corners with four equivalent Na(1)Se4 tetrahedra, and edges with eight equivalent Cu(1)Pb2Se4 tetrahedra. Pb(1) is bonded in a 10-coordinate geometry to six equivalent Cu(1) and four equivalent Se(1) atoms. Se(1) is bonded in a 5-coordinate geometry to one Na(1), three equivalent Cu(1), and one Pb(1) atom.
NaCu3PbSe4 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 twelve equivalent Cu(1)Pb2Se4 tetrahedra. All Na(1)-Se(1) bond lengths are 2.70 Å. Cu(1) is bonded to two equivalent Pb(1) and four equivalent Se(1) atoms to form distorted CuPb2Se4 tetrahedra that share corners with two equivalent Cu(1)Pb2Se4 tetrahedra, corners with four equivalent Na(1)Se4 tetrahedra, and edges with eight equivalent Cu(1)Pb2Se4 tetrahedra. Both Cu(1)-Pb(1) bond lengths are 3.07 Å. All Cu(1)-Se(1) bond lengths are 2.65 Å. Pb(1) is bonded in a 10-coordinate geometry to six equivalent Cu(1) and four equivalent Se(1) atoms. All Pb(1)-Se(1) bond lengths are 2.62 Å. Se(1) is bonded in a 5-coordinate geometry to one Na(1), three equivalent Cu(1), and one Pb(1) atom.