ZrTeSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded in a 9-coordinate geometry to four equivalent Te(1) and five equivalent Se(1) atoms. Te(1) is bonded to four equivalent Zr(1) atoms to form a mixture of distorted corner and edge-sharing TeZr4 tetrahedra. Se(1) is bonded in a distorted single-bond geometry to five equivalent Zr(1) atoms.
ZrTeSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded in a 9-coordinate geometry to four equivalent Te(1) and five equivalent Se(1) atoms. All Zr(1)-Te(1) bond lengths are 2.97 Å. There is one shorter (2.70 Å) and four longer (3.36 Å) Zr(1)-Se(1) bond lengths. Te(1) is bonded to four equivalent Zr(1) atoms to form a mixture of distorted corner and edge-sharing TeZr4 tetrahedra. Se(1) is bonded in a distorted single-bond geometry to five equivalent Zr(1) atoms.