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FeTe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe2+ is bonded in a 6-coordinate geometry to six equivalent Te2- atoms. All Fe–Te bond lengths are 2.69 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Fe2+ atoms.
FeTe2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent Te+1.50- atoms to form a mixture of corner and edge-sharing FeTe6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are two shorter (2.56 Å) and four longer (2.57 Å) Fe–Te bond lengths. Te+1.50- is bonded in a 3-coordinate geometry to three equivalent Fe3+ atoms.
FeTe is Vulcanite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one FeTe sheet oriented in the (0, 0, 1) direction. Fe2+ is bonded in a 4-coordinate geometry to four equivalent Te2- atoms. All Fe–Te bond lengths are 2.58 Å. Te2- is bonded in a 4-coordinate geometry to four equivalent Fe2+ atoms.
Fe2Te3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent Te2- atoms to form a mixture of corner, edge, and face-sharing FeTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are three shorter (2.43 Å) and three longer (2.55 Å) Fe–Te bond lengths. Te2- is bonded in a 4-coordinate geometry to four equivalent Fe3+ atoms.