CoS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co2+ is bonded to six equivalent S2- atoms to form a mixture of edge, corner, and face-sharing CoS6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Co–S bond lengths are 2.32 Å. S2- is bonded in a 6-coordinate geometry to six equivalent Co2+ atoms.
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