CuNbTe2 crystallizes in the monoclinic P2_1/m space group. Nb(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), one Cu(1), three equivalent Te(1), and three equivalent Te(2) atoms. Cu(1) is bonded in a 7-coordinate geometry to one Nb(1), two equivalent Cu(1), one Te(1), and three equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Nb(1) and one Cu(1) atom to form a mixture of distorted corner and edge-sharing TeNb3Cu tetrahedra. In the second Te site, Te(2) is bonded in a distorted hexagonal planar geometry to three equivalent Nb(1) and three equivalent Cu(1) atoms.
CuNbTe2 crystallizes in the monoclinic P2_1/m space group. Nb(1) is bonded in a 9-coordinate geometry to two equivalent Nb(1), one Cu(1), three equivalent Te(1), and three equivalent Te(2) atoms. Both Nb(1)-Nb(1) bond lengths are 3.07 Å. The Nb(1)-Cu(1) bond length is 2.95 Å. There are two shorter (2.79 Å) and one longer (2.80 Å) Nb(1)-Te(1) bond length. There are two shorter (2.96 Å) and one longer (3.04 Å) Nb(1)-Te(2) bond length. Cu(1) is bonded in a 7-coordinate geometry to one Nb(1), two equivalent Cu(1), one Te(1), and three equivalent Te(2) atoms. Both Cu(1)-Cu(1) bond lengths are 2.53 Å. The Cu(1)-Te(1) bond length is 2.60 Å. There are two shorter (2.65 Å) and one longer (2.69 Å) Cu(1)-Te(2) bond length. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Nb(1) and one Cu(1) atom to form a mixture of distorted corner and edge-sharing TeNb3Cu tetrahedra. In the second Te site, Te(2) is bonded in a distorted hexagonal planar geometry to three equivalent Nb(1) and three equivalent Cu(1) atoms.