CuZr2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Zr(1) is bonded to six equivalent S(1) atoms to form ZrS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra and edges with six equivalent Zr(1)S6 octahedra. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with twelve equivalent Zr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 55°. S(1) is bonded in a rectangular see-saw-like geometry to three equivalent Zr(1) and one Cu(1) atom.
CuZr2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Zr(1) is bonded to six equivalent S(1) atoms to form ZrS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra and edges with six equivalent Zr(1)S6 octahedra. All Zr(1)-S(1) bond lengths are 2.59 Å. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with twelve equivalent Zr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Cu(1)-S(1) bond lengths are 2.28 Å. S(1) is bonded in a rectangular see-saw-like geometry to three equivalent Zr(1) and one Cu(1) atom.