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Title: Materials Data on NbTe4 by Materials Project

Abstract

NbTe4 crystallizes in the tetragonal P4 space group. The structure is one-dimensional and consists of four NbTe4 ribbons oriented in the (0, 0, 1) direction. there are six inequivalent Nb2+ sites. In the first Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.83 Å) and four longer (3.00 Å) Nb–Te bond lengths. In the second Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.83 Å) and four longer (2.99 Å) Nb–Te bond lengths. In the third Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.92 Å) and four longer (2.93 Å) Nb–Te bond lengths. In the fourth Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.83 Å) and four longer (3.00 Å) Nb–Te bond lengths. In the fifth Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.92 Å) and four longer (2.93 Å) Nb–Te bond lengths. In the sixth Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are fourmore » shorter (2.83 Å) and four longer (2.99 Å) Nb–Te bond lengths. There are six inequivalent Te+0.50- sites. In the first Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms. In the second Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms. In the third Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms. In the fourth Te+0.50- site, Te+0.50- is bonded in a 2-coordinate geometry to two Nb2+ atoms. In the fifth Te+0.50- site, Te+0.50- is bonded in a 2-coordinate geometry to two Nb2+ atoms. In the sixth Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-568220
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; NbTe4; Nb-Te
OSTI Identifier:
1274298
DOI:
https://doi.org/10.17188/1274298

Citation Formats

The Materials Project. Materials Data on NbTe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274298.
The Materials Project. Materials Data on NbTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1274298
The Materials Project. 2020. "Materials Data on NbTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1274298. https://www.osti.gov/servlets/purl/1274298. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1274298,
title = {Materials Data on NbTe4 by Materials Project},
author = {The Materials Project},
abstractNote = {NbTe4 crystallizes in the tetragonal P4 space group. The structure is one-dimensional and consists of four NbTe4 ribbons oriented in the (0, 0, 1) direction. there are six inequivalent Nb2+ sites. In the first Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.83 Å) and four longer (3.00 Å) Nb–Te bond lengths. In the second Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.83 Å) and four longer (2.99 Å) Nb–Te bond lengths. In the third Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.92 Å) and four longer (2.93 Å) Nb–Te bond lengths. In the fourth Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.83 Å) and four longer (3.00 Å) Nb–Te bond lengths. In the fifth Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.92 Å) and four longer (2.93 Å) Nb–Te bond lengths. In the sixth Nb2+ site, Nb2+ is bonded in a 8-coordinate geometry to eight Te+0.50- atoms. There are four shorter (2.83 Å) and four longer (2.99 Å) Nb–Te bond lengths. There are six inequivalent Te+0.50- sites. In the first Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms. In the second Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms. In the third Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms. In the fourth Te+0.50- site, Te+0.50- is bonded in a 2-coordinate geometry to two Nb2+ atoms. In the fifth Te+0.50- site, Te+0.50- is bonded in a 2-coordinate geometry to two Nb2+ atoms. In the sixth Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to two Nb2+ atoms.},
doi = {10.17188/1274298},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}