Materials Data on Nb3Te3As by Materials Project
Nb3AsTe3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Nb3+ is bonded to two equivalent As3- and four equivalent Te2- atoms to form a mixture of distorted face, edge, and corner-sharing NbTe4As2 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. Both Nb–As bond lengths are 2.68 Å. There are a spread of Nb–Te bond distances ranging from 2.77–2.97 Å. As3- is bonded to six equivalent Nb3+ atoms to form distorted face-sharing AsNb6 pentagonal pyramids. Te2- is bonded in a 4-coordinate geometry to four equivalent Nb3+ atoms.
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