Nb3AgTe4 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 7-coordinate geometry to one Nb(3), one Te(2), two equivalent Te(1), and three equivalent Te(4) atoms. In the second Nb site, Nb(2) is bonded in a 7-coordinate geometry to one Nb(3), one Te(3), three equivalent Te(1), and three equivalent Te(2) atoms. In the third Nb site, Nb(3) is bonded in a 8-coordinate geometry to one Nb(1), one Nb(2), one Te(4), two equivalent Te(1), and three equivalent Te(3) atoms. Ag(1) is bonded in a 6-coordinate geometry to two equivalent Ag(1), two equivalent Te(2), and two equivalent Te(4) atoms. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to two equivalent Nb(1), two equivalent Nb(3), and three equivalent Nb(2) atoms. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one Nb(1), three equivalent Nb(2), and two equivalent Ag(1) atoms. In the third Te site, Te(3) is bonded to one Nb(2) and three equivalent Nb(3) atoms to form a mixture of distorted edge and corner-sharing TeNb4 trigonal pyramids. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to one Nb(3), three equivalent Nb(1), and two equivalent Ag(1) atoms.
Nb3AgTe4 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 7-coordinate geometry to one Nb(3), one Te(2), two equivalent Te(1), and three equivalent Te(4) atoms. The Nb(1)-Nb(3) bond length is 2.70 Å. The Nb(1)-Te(2) bond length is 3.11 Å. Both Nb(1)-Te(1) bond lengths are 3.13 Å. There is one shorter (2.76 Å) and two longer (2.89 Å) Nb(1)-Te(4) bond lengths. In the second Nb site, Nb(2) is bonded in a 7-coordinate geometry to one Nb(3), one Te(3), three equivalent Te(1), and three equivalent Te(2) atoms. The Nb(2)-Nb(3) bond length is 2.90 Å. The Nb(2)-Te(3) bond length is 2.94 Å. There is one shorter (2.98 Å) and two longer (3.12 Å) Nb(2)-Te(1) bond lengths. There is one shorter (2.76 Å) and two longer (2.97 Å) Nb(2)-Te(2) bond lengths. In the third Nb site, Nb(3) is bonded in a 8-coordinate geometry to one Nb(1), one Nb(2), one Te(4), two equivalent Te(1), and three equivalent Te(3) atoms. The Nb(3)-Te(4) bond length is 2.87 Å. Both Nb(3)-Te(1) bond lengths are 2.96 Å. There is one shorter (2.86 Å) and two longer (3.03 Å) Nb(3)-Te(3) bond lengths. Ag(1) is bonded in a 6-coordinate geometry to two equivalent Ag(1), two equivalent Te(2), and two equivalent Te(4) atoms. Both Ag(1)-Ag(1) bond lengths are 2.45 Å. Both Ag(1)-Te(2) bond lengths are 3.04 Å. Both Ag(1)-Te(4) bond lengths are 3.02 Å. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to two equivalent Nb(1), two equivalent Nb(3), and three equivalent Nb(2) atoms. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one Nb(1), three equivalent Nb(2), and two equivalent Ag(1) atoms. In the third Te site, Te(3) is bonded to one Nb(2) and three equivalent Nb(3) atoms to form a mixture of distorted edge and corner-sharing TeNb4 trigonal pyramids. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to one Nb(3), three equivalent Nb(1), and two equivalent Ag(1) atoms.