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CoTe2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CoTe2 sheet oriented in the (0, 0, 1) direction. Co4+ is bonded to six equivalent Te2- atoms to form edge-sharing CoTe6 octahedra. All Co–Te bond lengths are 2.56 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Co4+ atoms.
CoTe2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Co4+ is bonded to six equivalent Te2- atoms to form a mixture of edge and corner-sharing CoTe6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are two shorter (2.58 Å) and four longer (2.59 Å) Co–Te bond lengths. Te2- is bonded in a 3-coordinate geometry to three equivalent Co4+ atoms.