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Title: Materials Data on NbTe2 by Materials Project

Abstract

NbTe2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one NbTe2 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Nb4+ sites. In the first Nb4+ site, Nb4+ is bonded to six Te2- atoms to form distorted edge-sharing NbTe6 octahedra. There are four shorter (2.85 Å) and two longer (2.92 Å) Nb–Te bond lengths. In the second Nb4+ site, Nb4+ is bonded to six Te2- atoms to form distorted edge-sharing NbTe6 octahedra. There are a spread of Nb–Te bond distances ranging from 2.70–2.94 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three Nb4+ atoms. In the second Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nb4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three Nb4+ atoms.

Publication Date:
Other Number(s):
mp-11675
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NbTe2; Nb-Te
OSTI Identifier:
1188143
DOI:
https://doi.org/10.17188/1188143

Citation Formats

The Materials Project. Materials Data on NbTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188143.
The Materials Project. Materials Data on NbTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1188143
The Materials Project. 2020. "Materials Data on NbTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1188143. https://www.osti.gov/servlets/purl/1188143. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1188143,
title = {Materials Data on NbTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {NbTe2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one NbTe2 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Nb4+ sites. In the first Nb4+ site, Nb4+ is bonded to six Te2- atoms to form distorted edge-sharing NbTe6 octahedra. There are four shorter (2.85 Å) and two longer (2.92 Å) Nb–Te bond lengths. In the second Nb4+ site, Nb4+ is bonded to six Te2- atoms to form distorted edge-sharing NbTe6 octahedra. There are a spread of Nb–Te bond distances ranging from 2.70–2.94 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three Nb4+ atoms. In the second Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nb4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three Nb4+ atoms.},
doi = {10.17188/1188143},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}