Zr3Te crystallizes in the tetragonal I-4 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted water-like geometry to two equivalent Te(1) atoms. In the second Zr site, Zr(3) is bonded in a 3-coordinate geometry to three equivalent Te(1) atoms. In the third Zr site, Zr(2) is bonded to four equivalent Te(1) atoms to form a mixture of distorted edge and corner-sharing ZrTe4 tetrahedra. Te(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), and four equivalent Zr(2) atoms.
Zr3Te crystallizes in the tetragonal I-4 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted water-like geometry to two equivalent Te(1) atoms. There is one shorter (2.90 Å) and one longer (3.05 Å) Zr(1)-Te(1) bond length. In the second Zr site, Zr(3) is bonded in a 3-coordinate geometry to three equivalent Te(1) atoms. There are a spread of Zr(3)-Te(1) bond distances ranging from 2.90-3.12 Å. In the third Zr site, Zr(2) is bonded to four equivalent Te(1) atoms to form a mixture of distorted edge and corner-sharing ZrTe4 tetrahedra. There are a spread of Zr(2)-Te(1) bond distances ranging from 2.92-2.97 Å. Te(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), and four equivalent Zr(2) atoms.