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Title: Materials Data on Nb3Te3As by Materials Project

Abstract

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.

Authors:
Publication Date:
Other Number(s):
mp-28968
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nb3Te3As; As-Nb-Te
OSTI Identifier:
1203027
DOI:
https://doi.org/10.17188/1203027

Citation Formats

The Materials Project. Materials Data on Nb3Te3As by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203027.
The Materials Project. Materials Data on Nb3Te3As by Materials Project. United States. doi:https://doi.org/10.17188/1203027
The Materials Project. 2020. "Materials Data on Nb3Te3As by Materials Project". United States. doi:https://doi.org/10.17188/1203027. https://www.osti.gov/servlets/purl/1203027. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1203027,
title = {Materials Data on Nb3Te3As by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1203027},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}