CoNi5S8 is Spinel-like structured and crystallizes in the cubic F-43m space group. Co(1) is bonded to four equivalent S(2) atoms to form CoS4 tetrahedra that share corners with twelve equivalent Ni(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form NiS6 octahedra that share corners with three equivalent Co(1)S4 tetrahedra, corners with three equivalent Ni(2)S4 tetrahedra, and edges with six equivalent Ni(1)S6 octahedra. In the second Ni site, Ni(2) is bonded to four equivalent S(1) atoms to form corner-sharing NiS4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Ni(2) and three equivalent Ni(1) atoms to form a mixture of distorted edge and corner-sharing SNi4 trigonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Co(1) and three equivalent Ni(1) atoms.
CoNi5S8 is Spinel-like structured and crystallizes in the cubic F-43m space group. Co(1) is bonded to four equivalent S(2) atoms to form CoS4 tetrahedra that share corners with twelve equivalent Ni(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Co(1)-S(2) bond lengths are 2.15 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form NiS6 octahedra that share corners with three equivalent Co(1)S4 tetrahedra, corners with three equivalent Ni(2)S4 tetrahedra, and edges with six equivalent Ni(1)S6 octahedra. All Ni(1)-S(1) bond lengths are 2.28 Å. All Ni(1)-S(2) bond lengths are 2.29 Å. In the second Ni site, Ni(2) is bonded to four equivalent S(1) atoms to form corner-sharing NiS4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. All Ni(2)-S(1) bond lengths are 2.17 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Ni(2) and three equivalent Ni(1) atoms to form a mixture of distorted edge and corner-sharing SNi4 trigonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Co(1) and three equivalent Ni(1) atoms.