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Ti2NbSn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ti2NbSn ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to one Nb and one Sn atom. The Ti–Nb bond length is 2.21 Å. The Ti–Sn bond length is 2.67 Å. Nb is bonded in a linear geometry to two equivalent Ti atoms. Sn is bonded in a linear geometry to two equivalent Ti atoms.
Ti3Nb3Sn2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Nb and four equivalent Sn atoms. Both Ti–Nb bond lengths are 2.65 Å. There are two shorter (2.94 Å) and two longer (2.97 Å) Ti–Sn bond lengths. Nb is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Sn atoms. There are two shorter (2.96 Å) and two longer (2.97 Å) Nb–Sn bond lengths. Sn is bonded to six equivalent Ti and six equivalent Nb atoms to form a mixture of edge and face-sharing SnTi6Nb6 cuboctahedra.