CoSeS is Pyrite-derived structured and crystallizes in the cubic P2_13 space group. Co(1) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form CoSe3S3 octahedra that share corners with twelve equivalent Co(1)Se3S3 octahedra, corners with three equivalent Se(1)Co3S tetrahedra, and corners with three equivalent S(1)Co3Se tetrahedra. The corner-sharing octahedral tilt angles are 63°. Se(1) is bonded to three equivalent Co(1) and one S(1) atom to form distorted SeCo3S tetrahedra that share corners with three equivalent Co(1)Se3S3 octahedra, corners with six equivalent Se(1)Co3S tetrahedra, and corners with nine equivalent S(1)Co3Se tetrahedra. The corner-sharing octahedral tilt angles are 79°. S(1) is bonded to three equivalent Co(1) and one Se(1) atom to form distorted SCo3Se tetrahedra that share corners with three equivalent Co(1)Se3S3 octahedra, corners with six equivalent S(1)Co3Se tetrahedra, and corners with nine equivalent Se(1)Co3S tetrahedra. The corner-sharing octahedral tilt angles are 79°.
CoSeS is Pyrite-derived structured and crystallizes in the cubic P2_13 space group. Co(1) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form CoSe3S3 octahedra that share corners with twelve equivalent Co(1)Se3S3 octahedra, corners with three equivalent Se(1)Co3S tetrahedra, and corners with three equivalent S(1)Co3Se tetrahedra. The corner-sharing octahedral tilt angles are 63°. All Co(1)-Se(1) bond lengths are 2.40 Å. All Co(1)-S(1) bond lengths are 2.31 Å. Se(1) is bonded to three equivalent Co(1) and one S(1) atom to form distorted SeCo3S tetrahedra that share corners with three equivalent Co(1)Se3S3 octahedra, corners with six equivalent Se(1)Co3S tetrahedra, and corners with nine equivalent S(1)Co3Se tetrahedra. The corner-sharing octahedral tilt angles are 79°. The Se(1)-S(1) bond length is 2.39 Å. S(1) is bonded to three equivalent Co(1) and one Se(1) atom to form distorted SCo3Se tetrahedra that share corners with three equivalent Co(1)Se3S3 octahedra, corners with six equivalent S(1)Co3Se tetrahedra, and corners with nine equivalent Se(1)Co3S tetrahedra. The corner-sharing octahedral tilt angles are 79°.