Nb7Te6 is Titanium telluride-like structured and crystallizes in the triclinic P-1 space group. There are fourteen inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to one Nb(2), one Nb(8), one Te(10), one Te(11), one Te(12), one Te(3), and one Te(4) atom. In the second Nb site, Nb(2) is bonded in a 11-coordinate geometry to one Nb(1), one Nb(3), one Nb(4), one Nb(5), one Nb(6), one Nb(7), one Nb(9), one Te(1), one Te(2), one Te(3), and one Te(4) atom. In the third Nb site, Nb(3) is bonded in a 5-coordinate geometry to one Nb(2), one Nb(8), one Te(10), one Te(4), one Te(5), and two equivalent Te(1) atoms. In the fourth Nb site, Nb(4) is bonded to one Nb(2), one Nb(8), one Te(1), one Te(5), one Te(7), and two equivalent Te(2) atoms to form distorted NbNb2Te5 square pyramids that share  a cornercorner with one Nb(9)Nb2Te5 square pyramid,  an edgeedge with one Nb(8)Nb8Te4 cuboctahedra,  an edgeedge with one Nb(13)Nb2Te5 square pyramid,  an edgeedge with one Nb(4)Nb2Te5 square pyramid,  a faceface with one Nb(12)Nb2Te5 square pyramid, and  a faceface with one Nb(9)Nb2Te5 square pyramid. In the fifth Nb site, Nb(5) is bonded in a 5-coordinate geometry to one Nb(10), one Nb(2), one Te(2), one Te(6), one Te(8), and two equivalent Te(3) atoms. In the sixth Nb site, Nb(6) is bonded in a 5-coordinate geometry to one Nb(10), one Nb(2), one Te(11), one Te(3), one Te(8), and two equivalent Te(4) atoms. In the seventh Nb site, Nb(7) is bonded in a 5-coordinate geometry to one Nb(10), one Nb(2), one Te(1), one Te(11), one Te(4), one Te(5), and one Te(9) atom. In the eighth Nb site, Nb(8) is bonded to one Nb(1), one Nb(11), one Nb(12), one Nb(13), one Nb(14), one Nb(3), one Nb(4), one Nb(9), one Te(10), one Te(12), one Te(5), and one Te(7) atom to form a mixture of distorted edge and corner-sharing NbNb8Te4 cuboctahedra. In the ninth Nb site, Nb(9) is bonded to one Nb(2), one Nb(8), one Te(12), one Te(2), one Te(3), one Te(7), and one Te(8) atom to form distorted NbNb2Te5 square pyramids that share  a cornercorner with one Nb(4)Nb2Te5 square pyramid,  an edgeedge with one Nb(8)Nb8Te4 cuboctahedra,  an edgeedge with one Nb(12)Nb2Te5 square pyramid,  an edgeedge with one Nb(13)Nb2Te5 square pyramid,  a faceface with one Nb(13)Nb2Te5 square pyramid, and  a faceface with one Nb(4)Nb2Te5 square pyramid. In the tenth Nb site, Nb(10) is bonded in a 11-coordinate geometry to one Nb(11), one Nb(12), one Nb(13), one Nb(14), one Nb(5), one Nb(6), one Nb(7), one Te(11), one Te(6), one Te(8), and one Te(9) atom. In the eleventh Nb site, Nb(11) is bonded in a 5-coordinate geometry to one Nb(10), one Nb(8), one Te(10), one Te(11), one Te(5), and two equivalent Te(9) atoms. In the twelfth Nb site, Nb(12) is bonded to one Nb(10), one Nb(8), one Te(5), one Te(7), one Te(9), and two equivalent Te(6) atoms to form distorted NbNb2Te5 square pyramids that share  a cornercorner with one Nb(13)Nb2Te5 square pyramid,  an edgeedge with one Nb(8)Nb8Te4 cuboctahedra,  an edgeedge with one Nb(12)Nb2Te5 square pyramid,  an edgeedge with one Nb(9)Nb2Te5 square pyramid,  a faceface with one Nb(13)Nb2Te5 square pyramid, and  a faceface with one Nb(4)Nb2Te5 square pyramid. In the thirteenth Nb site, Nb(13) is bonded to one Nb(10), one Nb(8), one Te(6), one Te(7), one Te(8), and two equivalent Te(12) atoms to form distorted NbNb2Te5 square pyramids that share  a cornercorner with one Nb(8)Nb8Te4 cuboctahedra,  a cornercorner with one Nb(12)Nb2Te5 square pyramid,  an edgeedge with one Nb(8)Nb8Te4 cuboctahedra,  an edgeedge with one Nb(13)Nb2Te5 square pyramid,  an edgeedge with one Nb(4)Nb2Te5 square pyramid,  an edgeedge with one Nb(9)Nb2Te5 square pyramid,  a faceface with one Nb(12)Nb2Te5 square pyramid, and  a faceface with one Nb(9)Nb2Te5 square pyramid. In the fourteenth Nb site, Nb(14) is bonded in a 5-coordinate geometry to one Nb(10), one Nb(8), one Te(11), one Te(12), one Te(8), and two equivalent Te(10) atoms. There are twelve inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one Nb(2), one Nb(4), one Nb(7), and two equivalent Nb(3) atoms. In the second Te site, Te(2) is bonded in a distorted pentagonal planar geometry to one Nb(2), one Nb(5), one Nb(9), and two equivalent Nb(4) atoms. In the third Te site, Te(3) is bonded in a 6-coordinate geometry to one Nb(1), one Nb(2), one Nb(6), one Nb(9), and two equivalent Nb(5) atoms. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to one Nb(1), one Nb(2), one Nb(3), one Nb(7), and two equivalent Nb(6) atoms. In the fifth Te site, Te(5) is bonded in a 6-coordinate geometry to one Nb(11), one Nb(12), one Nb(3), one Nb(4), one Nb(7), and one Nb(8) atom. In the sixth Te site, Te(6) is bonded in a 5-coordinate geometry to one Nb(10), one Nb(13), one Nb(5), and two equivalent Nb(12) atoms. In the seventh Te site, Te(7) is bonded in a 5-coordinate geometry to one Nb(12), one Nb(13), one Nb(4), one Nb(8), and one Nb(9) atom. In the eighth Te site, Te(8) is bonded in a 6-coordinate geometry to one Nb(10), one Nb(13), one Nb(14), one Nb(5), one Nb(6), and one Nb(9) atom. In the ninth Te site, Te(9) is bonded in a 5-coordinate geometry to one Nb(10), one Nb(12), one Nb(7), and two equivalent Nb(11) atoms. In the tenth Te site, Te(10) is bonded in a distorted hexagonal planar geometry to one Nb(1), one Nb(11), one Nb(3), one Nb(8), and two equivalent Nb(14) atoms. In the eleventh Te site, Te(11) is bonded in a 6-coordinate geometry to one Nb(1), one Nb(10), one Nb(11), one Nb(14), one Nb(6), and one Nb(7) atom. In the twelfth Te site, Te(12) is bonded in a 6-coordinate geometry to one Nb(1), one Nb(14), one Nb(8), one Nb(9), and two equivalent Nb(13) atoms.
Nb7Te6 is Titanium telluride-like structured and crystallizes in the triclinic P-1 space group. There are fourteen inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to one Nb(2), one Nb(8), one Te(10), one Te(11), one Te(12), one Te(3), and one Te(4) atom. The Nb(1)-Nb(2) bond length is 2.88 Å. The Nb(1)-Nb(8) bond length is 2.89 Å. The Nb(1)-Te(10) bond length is 2.92 Å. The Nb(1)-Te(11) bond length is 2.87 Å. The Nb(1)-Te(12) bond length is 2.92 Å. The Nb(1)-Te(3) bond length is 2.81 Å. The Nb(1)-Te(4) bond length is 2.83 Å. In the second Nb site, Nb(2) is bonded in a 11-coordinate geometry to one Nb(1), one Nb(3), one Nb(4), one Nb(5), one Nb(6), one Nb(7), one Nb(9), one Te(1), one Te(2), one Te(3), and one Te(4) atom. The Nb(2)-Nb(3) bond length is 3.00 Å. The Nb(2)-Nb(4) bond length is 2.87 Å. The Nb(2)-Nb(5) bond length is 2.92 Å. The Nb(2)-Nb(6) bond length is 2.85 Å. The Nb(2)-Nb(7) bond length is 2.90 Å. The Nb(2)-Nb(9) bond length is 2.99 Å. The Nb(2)-Te(1) bond length is 2.96 Å. The Nb(2)-Te(2) bond length is 2.93 Å. The Nb(2)-Te(3) bond length is 3.14 Å. The Nb(2)-Te(4) bond length is 2.98 Å. In the third Nb site, Nb(3) is bonded in a 5-coordinate geometry to one Nb(2), one Nb(8), one Te(10), one Te(4), one Te(5), and two equivalent Te(1) atoms. The Nb(3)-Nb(8) bond length is 3.03 Å. The Nb(3)-Te(10) bond length is 2.92 Å. The Nb(3)-Te(4) bond length is 2.84 Å. The Nb(3)-Te(5) bond length is 2.86 Å. There is one shorter (2.87 Å) and one longer (2.88 Å) Nb(3)-Te(1) bond length. In the fourth Nb site, Nb(4) is bonded to one Nb(2), one Nb(8), one Te(1), one Te(5), one Te(7), and two equivalent Te(2) atoms to form distorted NbNb2Te5 square pyramids that share  a cornercorner with one Nb(9)Nb2Te5 square pyramid,  an edgeedge with one Nb(8)Nb8Te4 cuboctahedra,  an edgeedge with one Nb(13)Nb2Te5 square pyramid,  an edgeedge with one Nb(4)Nb2Te5 square pyramid,  a faceface with one Nb(12)Nb2Te5 square pyramid, and  a faceface with one Nb(9)Nb2Te5 square pyramid. The Nb(4)-Nb(8) bond length is 2.85 Å. The Nb(4)-Te(1) bond length is 2.84 Å. The Nb(4)-Te(5) bond length is 2.84 Å. The Nb(4)-Te(7) bond length is 2.88 Å. There is one shorter (2.84 Å) and one longer (2.90 Å) Nb(4)-Te(2) bond length. In the fifth Nb site, Nb(5) is bonded in a 5-coordinate geometry to one Nb(10), one Nb(2), one Te(2), one Te(6), one Te(8), and two equivalent Te(3) atoms. The Nb(5)-Nb(10) bond length is 2.98 Å. The Nb(5)-Te(2) bond length is 2.80 Å. The Nb(5)-Te(6) bond length is 2.86 Å. The Nb(5)-Te(8) bond length is 2.90 Å. There is one shorter (2.78 Å) and one longer (2.87 Å) Nb(5)-Te(3) bond length. In the sixth Nb site, Nb(6) is bonded in a 5-coordinate geometry to one Nb(10), one Nb(2), one Te(11), one Te(3), one Te(8), and two equivalent Te(4) atoms. The Nb(6)-Nb(10) bond length is 2.86 Å. The Nb(6)-Te(11) bond length is 2.92 Å. The Nb(6)-Te(3) bond length is 2.85 Å. The Nb(6)-Te(8) bond length is 2.88 Å. There is one shorter (2.82 Å) and one longer (2.91 Å) Nb(6)-Te(4) bond length. In the seventh Nb site, Nb(7) is bonded in a 5-coordinate geometry to one Nb(10), one Nb(2), one Te(1), one Te(11), one Te(4), one Te(5), and one Te(9) atom. The Nb(7)-Nb(10) bond length is 2.91 Å. The Nb(7)-Te(1) bond length is 2.85 Å. The Nb(7)-Te(11) bond length is 2.83 Å. The Nb(7)-Te(4) bond length is 2.81 Å. The Nb(7)-Te(5) bond length is 2.76 Å. The Nb(7)-Te(9) bond length is 2.86 Å. In the eighth Nb site, Nb(8) is bonded to one Nb(1), one Nb(11), one Nb(12), one Nb(13), one Nb(14), one Nb(3), one Nb(4), one Nb(9), one Te(10), one Te(12), one Te(5), and one Te(7) atom to form a mixture of distorted edge and corner-sharing NbNb8Te4 cuboctahedra. The Nb(8)-Nb(11) bond length is 3.01 Å. The Nb(8)-Nb(12) bond length is 2.84 Å. The Nb(8)-Nb(13) bond length is 2.96 Å. The Nb(8)-Nb(14) bond length is 2.91 Å. The Nb(8)-Nb(9) bond length is 2.98 Å. The Nb(8)-Te(10) bond length is 2.91 Å. The Nb(8)-Te(12) bond length is 2.98 Å. The Nb(8)-Te(5) bond length is 3.08 Å. The Nb(8)-Te(7) bond length is 2.97 Å. In the ninth Nb site, Nb(9) is bonded to one Nb(2), one Nb(8), one Te(12), one Te(2), one Te(3), one Te(7), and one Te(8) atom to form distorted NbNb2Te5 square pyramids that share  a cornercorner with one Nb(4)Nb2Te5 square pyramid,  an edgeedge with one Nb(8)Nb8Te4 cuboctahedra,  an edgeedge with one Nb(12)Nb2Te5 square pyramid,  an edgeedge with one Nb(13)Nb2Te5 square pyramid,  a faceface with one Nb(13)Nb2Te5 square pyramid, and  a faceface with one Nb(4)Nb2Te5 square pyramid. The Nb(9)-Te(12) bond length is 2.91 Å. The Nb(9)-Te(2) bond length is 2.82 Å. The Nb(9)-Te(3) bond length is 2.85 Å. The Nb(9)-Te(7) bond length is 2.93 Å. The Nb(9)-Te(8) bond length is 2.83 Å. In the tenth Nb site, Nb(10) is bonded in a 11-coordinate geometry to one Nb(11), one Nb(12), one Nb(13), one Nb(14), one Nb(5), one Nb(6), one Nb(7), one Te(11), one Te(6), one Te(8), and one Te(9) atom. The Nb(10)-Nb(11) bond length is 2.98 Å. The Nb(10)-Nb(12) bond length is 2.87 Å. The Nb(10)-Nb(13) bond length is 2.99 Å. The Nb(10)-Nb(14) bond length is 2.88 Å. The Nb(10)-Te(11) bond length is 2.99 Å. The Nb(10)-Te(6) bond length is 2.91 Å. The Nb(10)-Te(8) bond length is 3.07 Å. The Nb(10)-Te(9) bond length is 2.97 Å. In the eleventh Nb site, Nb(11) is bonded in a 5-coordinate geometry to one Nb(10), one Nb(8), one Te(10), one Te(11), one Te(5), and two equivalent Te(9) atoms. The Nb(11)-Te(10) bond length is 2.90 Å. The Nb(11)-Te(11) bond length is 2.86 Å. The Nb(11)-Te(5) bond length is 2.87 Å. There is one shorter (2.86 Å) and one longer (2.92 Å) Nb(11)-Te(9) bond length. In the twelfth Nb site, Nb(12) is bonded to one Nb(10), one Nb(8), one Te(5), one Te(7), one Te(9), and two equivalent Te(6) atoms to form distorted NbNb2Te5 square pyramids that share  a cornercorner with one Nb(13)Nb2Te5 square pyramid,  an edgeedge with one Nb(8)Nb8Te4 cuboctahedra,  an edgeedge with one Nb(12)Nb2Te5 square pyramid,  an edgeedge with one Nb(9)Nb2Te5 square pyramid,  a faceface with one Nb(13)Nb2Te5 square pyramid, and  a faceface with one Nb(4)Nb2Te5 square pyramid. The Nb(12)-Te(5) bond length is 2.83 Å. The Nb(12)-Te(7) bond length is 2.89 Å. The Nb(12)-Te(9) bond length is 2.84 Å. There is one shorter (2.86 Å) and one longer (2.97 Å) Nb(12)-Te(6) bond length. In the thirteenth Nb site, Nb(13) is bonded to one Nb(10), one Nb(8), one Te(6), one Te(7), one Te(8), and two equivalent Te(12) atoms to form distorted NbNb2Te5 square pyramids that share  a cornercorner with one Nb(8)Nb8Te4 cuboctahedra,  a cornercorner with one Nb(12)Nb2Te5 square pyramid,  an edgeedge with one Nb(8)Nb8Te4 cuboctahedra,  an edgeedge with one Nb(13)Nb2Te5 square pyramid,  an edgeedge with one Nb(4)Nb2Te5 square pyramid,  an edgeedge with one Nb(9)Nb2Te5 square pyramid,  a faceface with one Nb(12)Nb2Te5 square pyramid, and  a faceface with one Nb(9)Nb2Te5 square pyramid. The Nb(13)-Te(6) bond length is 2.83 Å. The Nb(13)-Te(7) bond length is 2.90 Å. The Nb(13)-Te(8) bond length is 2.89 Å. There is one shorter (2.89 Å) and one longer (2.90 Å) Nb(13)-Te(12) bond length. In the fourteenth Nb site, Nb(14) is bonded in a 5-coordinate geometry to one Nb(10), one Nb(8), one Te(11), one Te(12), one Te(8), and two equivalent Te(10) atoms. The Nb(14)-Te(11) bond length is 2.85 Å. The Nb(14)-Te(12) bond length is 2.90 Å. The Nb(14)-Te(8) bond length is 2.83 Å. There is one shorter (2.92 Å) and one longer (2.93 Å) Nb(14)-Te(10) bond length. There are twelve inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one Nb(2), one Nb(4), one Nb(7), and two equivalent Nb(3) atoms. In the second Te site, Te(2) is bonded in a distorted pentagonal planar geometry to one Nb(2), one Nb(5), one Nb(9), and two equivalent Nb(4) atoms. In the third Te site, Te(3) is bonded in a 6-coordinate geometry to one Nb(1), one Nb(2), one Nb(6), one Nb(9), and two equivalent Nb(5) atoms. In the fourth Te site, Te(4) is bonded in a 6-coordinate geometry to one Nb(1), one Nb(2), one Nb(3), one Nb(7), and two equivalent Nb(6) atoms. In the fifth Te site, Te(5) is bonded in a 6-coordinate geometry to one Nb(11), one Nb(12), one Nb(3), one Nb(4), one Nb(7), and one Nb(8) atom. In the sixth Te site, Te(6) is bonded in a 5-coordinate geometry to one Nb(10), one Nb(13), one Nb(5), and two equivalent Nb(12) atoms. In the seventh Te site, Te(7) is bonded in a 5-coordinate geometry to one Nb(12), one Nb(13), one Nb(4), one Nb(8), and one Nb(9) atom. In the eighth Te site, Te(8) is bonded in a 6-coordinate geometry to one Nb(10), one Nb(13), one Nb(14), one Nb(5), one Nb(6), and one Nb(9) atom. In the ninth Te site, Te(9) is bonded in a 5-coordinate geometry to one Nb(10), one Nb(12), one Nb(7), and two equivalent Nb(11) atoms. In the tenth Te site, Te(10) is bonded in a distorted hexagonal planar geometry to one Nb(1), one Nb(11), one Nb(3), one Nb(8), and two equivalent Nb(14) atoms. In the eleventh Te site, Te(11) is bonded in a 6-coordinate geometry to one Nb(1), one Nb(10), one Nb(11), one Nb(14), one Nb(6), and one Nb(7) atom. In the twelfth Te site, Te(12) is bonded in a 6-coordinate geometry to one Nb(1), one Nb(14), one Nb(8), one Nb(9), and two equivalent Nb(13) atoms.