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TiMo2Re crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiMo2Re ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to two equivalent Mo atoms. Both Ti–Mo bond lengths are 2.24 Å. Mo is bonded in a linear geometry to one Ti and one Re atom. The Mo–Re bond length is 2.26 Å. Re is bonded in a linear geometry to two equivalent Mo atoms.
TiMoRe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to six equivalent Mo and eight equivalent Re atoms. All Ti–Mo bond lengths are 3.13 Å. All Ti–Re bond lengths are 2.71 Å. Mo is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Re atoms. All Mo–Re bond lengths are 2.71 Å. Re is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Mo atoms.
Ti2MoRe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ti2MoRe ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to one Mo and one Re atom. The Ti–Mo bond length is 2.23 Å. The Ti–Re bond length is 2.20 Å. Mo is bonded in a linear geometry to two equivalent Ti atoms. Re is bonded in a linear geometry to two equivalent Ti atoms.