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Te3Se crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two Te3Se ribbons oriented in the (0, 0, 1) direction. Te+0.67+ is bonded in an L-shaped geometry to two equivalent Se2- atoms. Both Te–Se bond lengths are 3.08 Å. Se2- is bonded to six equivalent Te+0.67+ atoms to form distorted face-sharing SeTe6 pentagonal pyramids.
Ta4Ga(Te3Se)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Ta+3.25+ sites. In the first Ta+3.25+ site, Ta+3.25+ is bonded in a 6-coordinate geometry to five Te2- and one Se2- atom. There are a spread of Ta–Te bond distances ranging from 2.74–3.02 Å. The Ta–Se bond length is 2.53 Å. In the second Ta+3.25+ site, Ta+3.25+ is bonded in a 6-coordinate geometry to four Te2- and two equivalent Se2- atoms. There are a spread of Ta–Te bond distances ranging from 2.75–3.04 Å. Both Ta–Se bond lengths are 2.57 Å. Ga3+ is bonded in a tetrahedral geometry to four Te2- atoms. All Ga–Te bond lengths are 2.65 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three Ta+3.25+ and one Ga3+ atom to form a mixture of edge and corner-sharing TeTa3Ga tetrahedra. In the second Te2- site, Te2- is bonded to three Ta+3.25+ and one Ga3+ atom to form a mixture of edge and corner-sharing TeTa3Ga tetrahedra. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to three Ta+3.25+ atoms. Se2- is bonded in a 5-coordinate geometry to three Ta+3.25+ atoms.