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All sourcesNASA NTRSDOE OSTI
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 Nb3Te4 by Materials Project

Nb3Te4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Nb+2.67+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Nb–Te bond distances ranging from 2.80–3.47 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 in a trigonal planar geometry to three equivalent Nb+2.67+ atoms.

36 MATERIALS SCIENCE↗