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Title: Materials Data on Nb2Te3 by Materials Project

Abstract

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.

Authors:
Publication Date:
Other Number(s):
mp-570451
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; Nb2Te3; Nb-Te
OSTI Identifier:
1275711
DOI:
https://doi.org/10.17188/1275711

Citation Formats

The Materials Project. Materials Data on Nb2Te3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275711.
The Materials Project. Materials Data on Nb2Te3 by Materials Project. United States. doi:https://doi.org/10.17188/1275711
The Materials Project. 2020. "Materials Data on Nb2Te3 by Materials Project". United States. doi:https://doi.org/10.17188/1275711. https://www.osti.gov/servlets/purl/1275711. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1275711,
title = {Materials Data on Nb2Te3 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1275711},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}