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NbTe4 crystallizes in the tetragonal P4/mcc space group. The structure is one-dimensional and consists of one NbTe4 ribbon oriented in the (0, 0, 1) direction. Nb2+ is bonded in a 8-coordinate geometry to eight equivalent Te+0.50- atoms. All Nb–Te bond lengths are 2.91 Å. Te+0.50- is bonded in a 3-coordinate geometry to two equivalent Nb2+ atoms.
NbTe4 crystallizes in the tetragonal P4 space group. The structure is one-dimensional and consists of four NbTe4 ribbons oriented in the (0, 0, 1) direction. there are six inequivalent Nb2+ sites. In the first Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.83 Å) and four longer (3.00 Å) Nb–Te bond lengths. In the second Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.83 Å) and four longer (2.99 Å) Nb–Te bond lengths. In the third Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.92 Å) and four longer (2.93 Å) Nb–Te bond lengths. In the fourth Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.83 Å) and four longer (3.00 Å) Nb–Te bond lengths. In the fifth Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.92 Å) and four longer (2.93 Å) Nb–Te bond lengths. In the sixth Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.83 Å) and four longer (2.99 Å) Nb–Te bond lengths. There are six inequivalent Te+0.50- sites. In the first Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms. In the second Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms. In the third Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms. In the fourth Te+0.50- site, Te+0.50- is bonded in a 2-coordinate geometry to two Nb2+ atoms. In the fifth Te+0.50- site, Te+0.50- is bonded in a 2-coordinate geometry to two Nb2+ atoms. In the sixth Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms.
NbTe4 crystallizes in the tetragonal P4 space group. The structure is one-dimensional and consists of two NbTe4 ribbons oriented in the (0, 0, 1) direction. there are six inequivalent Nb2+ sites. In the first Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.82 Å) and four longer (3.00 Å) Nb–Te bond lengths. In the second Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.83 Å) and four longer (2.99 Å) Nb–Te bond lengths. In the third Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.83 Å) and four longer (2.99 Å) Nb–Te bond lengths. In the fourth Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.82 Å) and four longer (2.99 Å) Nb–Te bond lengths. In the fifth Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. All Nb–Te bond lengths are 2.92 Å. In the sixth Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. All Nb–Te bond lengths are 2.92 Å. There are six inequivalent Te+0.50- sites. In the first Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms. In the second Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms. In the third Te+0.50- site, Te+0.50- is bonded in a 2-coordinate geometry to two Nb2+ atoms. In the fourth Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms. In the fifth Te+0.50- site, Te+0.50- is bonded in a 2-coordinate geometry to two Nb2+ atoms. In the sixth Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms.
CsNb(CuTe2)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.84–4.55 Å. Nb5+ is bonded to four Te2- atoms to form NbTe4 tetrahedra that share edges with four CuTe4 tetrahedra. There are a spread of Nb–Te bond distances ranging from 2.64–2.67 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with six CuTe4 tetrahedra and edges with two equivalent NbTe4 tetrahedra. There are one shorter (2.62 Å) and three longer (2.63 Å) Cu–Te bond lengths. In the second Cu1+ site, Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and edges with two equivalent NbTe4 tetrahedra. There are two shorter (2.62 Å) and two longer (2.63 Å) Cu–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Cs1+, one Nb5+, and two Cu1+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Cs1+, one Nb5+, and two Cu1+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to one Cs1+, one Nb5+, and three Cu1+ atoms. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to four equivalent Cs1+, one Nb5+, and one Cu1+ atom.
Cu3NbTe4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Nb5+ is bonded to four equivalent Te2- atoms to form NbTe4 tetrahedra that share edges with six equivalent CuTe4 tetrahedra. All Nb–Te bond lengths are 2.67 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with eight equivalent CuTe4 tetrahedra and edges with two equivalent NbTe4 tetrahedra. All Cu–Te bond lengths are 2.62 Å. Te2- is bonded to one Nb5+ and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing TeNbCu3 tetrahedra.