Fe(CoS)8 crystallizes in the cubic Fm-3m space group. Fe(1) is bonded to six equivalent S(2) atoms to form FeS6 octahedra that share corners with twenty-four equivalent Co(1)S4 tetrahedra. Co(1) is bonded to one S(1) and three equivalent S(2) atoms to form CoS4 tetrahedra that share corners with three equivalent Fe(1)S6 octahedra, corners with six equivalent Co(1)S4 tetrahedra, and edges with three equivalent Co(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Co(1) atoms. In the second S site, S(1) is bonded in a tetrahedral geometry to four equivalent Co(1) atoms.
Fe(CoS)8 crystallizes in the cubic Fm-3m space group. Fe(1) is bonded to six equivalent S(2) atoms to form FeS6 octahedra that share corners with twenty-four equivalent Co(1)S4 tetrahedra. All Fe(1)-S(2) bond lengths are 2.30 Å. Co(1) is bonded to one S(1) and three equivalent S(2) atoms to form CoS4 tetrahedra that share corners with three equivalent Fe(1)S6 octahedra, corners with six equivalent Co(1)S4 tetrahedra, and edges with three equivalent Co(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. The Co(1)-S(1) bond length is 2.10 Å. All Co(1)-S(2) bond lengths are 2.21 Å. There are two inequivalent S sites. In the first S site, S(2) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Co(1) atoms. In the second S site, S(1) is bonded in a tetrahedral geometry to four equivalent Co(1) atoms.