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CoTe is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co2+ is bonded to six equivalent Te2- atoms to form a mixture of edge, corner, and face-sharing CoTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Co–Te bond lengths are 2.62 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Co2+ 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.
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.
Co3Te is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to eight Co and four equivalent Te atoms to form CoCo8Te4 cuboctahedra that share corners with twelve equivalent CoCo8Te4 cuboctahedra, edges with eight equivalent TeCo12 cuboctahedra, edges with sixteen CoCo8Te4 cuboctahedra, faces with four equivalent TeCo12 cuboctahedra, and faces with fourteen CoCo8Te4 cuboctahedra. There are four shorter (2.62 Å) and four longer (2.65 Å) Co–Co bond lengths. All Co–Te bond lengths are 2.62 Å. In the second Co site, Co is bonded to eight equivalent Co and four equivalent Te atoms to form CoCo8Te4 cuboctahedra that share corners with four equivalent CoCo8Te4 cuboctahedra, corners with eight equivalent TeCo12 cuboctahedra, edges with twenty-four CoCo8Te4 cuboctahedra, faces with six equivalent TeCo12 cuboctahedra, and faces with twelve CoCo8Te4 cuboctahedra. All Co–Te bond lengths are 2.65 Å. Te is bonded to twelve Co atoms to form TeCo12 cuboctahedra that share corners with four equivalent TeCo12 cuboctahedra, corners with eight equivalent CoCo8Te4 cuboctahedra, edges with eight equivalent TeCo12 cuboctahedra, edges with sixteen equivalent CoCo8Te4 cuboctahedra, faces with four equivalent TeCo12 cuboctahedra, and faces with fourteen CoCo8Te4 cuboctahedra.
CoTe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Co4+ is bonded to six equivalent Te2- atoms to form corner-sharing CoTe6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Co–Te bond lengths are 2.60 Å. Te2- is bonded in a distorted trigonal planar geometry to three equivalent Co4+ atoms.
Co5Te6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Co+2.40+ sites. In the first Co+2.40+ site, Co+2.40+ is bonded to six equivalent Te2- atoms to form a mixture of edge, face, and corner-sharing CoTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are three shorter (2.58 Å) and three longer (2.62 Å) Co–Te bond lengths. In the second Co+2.40+ site, Co+2.40+ is bonded to six equivalent Te2- atoms to form a mixture of edge, face, and corner-sharing CoTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Co–Te bond lengths are 2.60 Å. In the third Co+2.40+ site, Co+2.40+ is bonded to six equivalent Te2- atoms to form a mixture of edge, face, and corner-sharing CoTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are three shorter (2.61 Å) and three longer (2.65 Å) Co–Te bond lengths. Te2- is bonded in a 5-coordinate geometry to five Co+2.40+ atoms.