Hf2Te crystallizes in the monoclinic C2/m space group. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 11-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), two equivalent Hf(3), three equivalent Hf(4), one Te(1), and one Te(2) atom. In the second Hf site, Hf(2) is bonded to two equivalent Hf(1), two equivalent Te(1), and three equivalent Te(2) atoms to form a mixture of distorted edge and face-sharing HfHf2Te5 trigonal bipyramids. In the third Hf site, Hf(3) is bonded in a 3-coordinate geometry to two equivalent Hf(1), one Te(1), and two equivalent Te(2) atoms. In the fourth Hf site, Hf(4) is bonded in a 2-coordinate geometry to three equivalent Hf(1) and two equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one Hf(1), one Hf(3), two equivalent Hf(2), and two equivalent Hf(4) atoms. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one Hf(1), two equivalent Hf(3), and three equivalent Hf(2) atoms.
Hf2Te crystallizes in the monoclinic C2/m space group. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 11-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), two equivalent Hf(3), three equivalent Hf(4), one Te(1), and one Te(2) atom. Both Hf(1)-Hf(1) bond lengths are 3.00 Å. Both Hf(1)-Hf(2) bond lengths are 3.23 Å. Both Hf(1)-Hf(3) bond lengths are 3.11 Å. There are two shorter (3.12 Å) and one longer (3.13 Å) Hf(1)-Hf(4) bond length. The Hf(1)-Te(1) bond length is 3.13 Å. The Hf(1)-Te(2) bond length is 3.13 Å. In the second Hf site, Hf(2) is bonded to two equivalent Hf(1), two equivalent Te(1), and three equivalent Te(2) atoms to form a mixture of distorted edge and face-sharing HfHf2Te5 trigonal bipyramids. Both Hf(2)-Te(1) bond lengths are 2.91 Å. All Hf(2)-Te(2) bond lengths are 2.90 Å. In the third Hf site, Hf(3) is bonded in a 3-coordinate geometry to two equivalent Hf(1), one Te(1), and two equivalent Te(2) atoms. The Hf(3)-Te(1) bond length is 3.01 Å. Both Hf(3)-Te(2) bond lengths are 2.92 Å. In the fourth Hf site, Hf(4) is bonded in a 2-coordinate geometry to three equivalent Hf(1) and two equivalent Te(1) atoms. Both Hf(4)-Te(1) bond lengths are 2.94 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one Hf(1), one Hf(3), two equivalent Hf(2), and two equivalent Hf(4) atoms. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one Hf(1), two equivalent Hf(3), and three equivalent Hf(2) atoms.