Cr4FeCuS8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form CrS6 octahedra that share corners with three equivalent Fe(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, and edges with six equivalent Cr(1)S6 octahedra. Fe(1) is bonded to four equivalent S(1) atoms to form FeS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. Cu(1) is bonded to four equivalent S(2) atoms to form CuS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(1) and one Fe(1) atom to form a mixture of distorted edge and corner-sharing SCr3Fe trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(1) and one Cu(1) atom.
Cr4FeCuS8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form CrS6 octahedra that share corners with three equivalent Fe(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, and edges with six equivalent Cr(1)S6 octahedra. All Cr(1)-S(1) bond lengths are 2.43 Å. All Cr(1)-S(2) bond lengths are 2.38 Å. Fe(1) is bonded to four equivalent S(1) atoms to form FeS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Fe(1)-S(1) bond lengths are 2.28 Å. Cu(1) is bonded to four equivalent S(2) atoms to form CuS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cu(1)-S(2) bond lengths are 2.28 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(1) and one Fe(1) atom to form a mixture of distorted edge and corner-sharing SCr3Fe trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(1) and one Cu(1) atom.