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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NbTe2 by Materials Project

NbTe2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one NbTe2 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Nb4+ sites. In the first Nb4+ site, Nb4+ is bonded to six Te2- atoms to form distorted edge-sharing NbTe6 octahedra. There are four shorter (2.85 Å) and two longer (2.92 Å) Nb–Te bond lengths. In the second Nb4+ site, Nb4+ is bonded to six Te2- atoms to form distorted edge-sharing NbTe6 octahedra. There are a spread of Nb–Te bond distances ranging from 2.70–2.94 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three Nb4+ atoms. In the second Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nb4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three Nb4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb5Te4 by Materials Project

Nb5Te4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to eight equivalent Nb and four equivalent Te atoms to form distorted face-sharing NbNb8Te4 cuboctahedra. All Nb–Nb bond lengths are 2.98 Å. All Nb–Te bond lengths are 3.04 Å. In the second Nb site, Nb is bonded in a 5-coordinate geometry to two equivalent Nb and five equivalent Te atoms. There are a spread of Nb–Te bond distances ranging from 2.80–2.86 Å. Te is bonded in a 6-coordinate geometry to six Nb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb2Te3 by Materials Project

Nb2Te3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Nb3+ sites. In the first Nb3+ site, Nb3+ is bonded to six Te2- atoms to form a mixture of distorted face, edge, and corner-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 40–57°. There are a spread of Nb–Te bond distances ranging from 2.77–3.25 Å. In the second Nb3+ site, Nb3+ is bonded to six Te2- atoms to form a mixture of face, edge, and corner-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 40–57°. There are a spread of Nb–Te bond distances ranging from 2.81–2.94 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Nb3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four Nb3+ atoms. In the third Te2- site, Te2- is bonded in a 4-coordinate geometry to four Nb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb3Te by Materials Project

Nb3Te crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to two equivalent Nb and four equivalent Te atoms. Both Nb–Nb bond lengths are 2.65 Å. All Nb–Te bond lengths are 2.96 Å. Te is bonded to twelve equivalent Nb atoms to form a mixture of edge and face-sharing TeNb12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb3Te4 by Materials Project

Nb3Te4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Nb+2.67+ is bonded to six Te2- atoms to form a mixture of distorted corner, edge, and face-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of Nb–Te bond distances ranging from 2.80–3.01 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent Nb+2.67+ atoms. In the second Te2- site, Te2- is bonded to six equivalent Nb+2.67+ atoms to form distorted face-sharing TeNb6 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbTe by Materials Project

NbTe is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb2+ is bonded to six equivalent Te2- atoms to form a mixture of distorted corner, edge, and face-sharing NbTe6 pentagonal pyramids. All Nb–Te bond lengths are 2.83 Å. Te2- is bonded to six equivalent Nb2+ atoms to form a mixture of distorted corner, edge, and face-sharing TeNb6 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbTe2 by Materials Project

NbTe2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one NbTe2 sheet oriented in the (0, 0, 1) direction. Nb4+ is bonded to six equivalent Te2- atoms to form edge-sharing NbTe6 octahedra. All Nb–Te bond lengths are 2.82 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.

36 MATERIALS SCIENCE↗