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Title: Materials Data on NbCuTe2 by Materials Project

Abstract

CuNbTe2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nb3+ is bonded to six Te2- atoms to form distorted edge-sharing NbTe6 pentagonal pyramids. There are a spread of Nb–Te bond distances ranging from 2.79–3.04 Å. Cu1+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.60–2.69 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent Nb3+ and one Cu1+ atom. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Nb3+ and three equivalent Cu1+ atoms.

Publication Date:
Other Number(s):
mp-31510
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; NbCuTe2; Cu-Nb-Te
OSTI Identifier:
1205718
DOI:
10.17188/1205718

Citation Formats

The Materials Project. Materials Data on NbCuTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205718.
The Materials Project. Materials Data on NbCuTe2 by Materials Project. United States. doi:10.17188/1205718.
The Materials Project. 2020. "Materials Data on NbCuTe2 by Materials Project". United States. doi:10.17188/1205718. https://www.osti.gov/servlets/purl/1205718. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205718,
title = {Materials Data on NbCuTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuNbTe2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nb3+ is bonded to six Te2- atoms to form distorted edge-sharing NbTe6 pentagonal pyramids. There are a spread of Nb–Te bond distances ranging from 2.79–3.04 Å. Cu1+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.60–2.69 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent Nb3+ and one Cu1+ atom. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Nb3+ and three equivalent Cu1+ atoms.},
doi = {10.17188/1205718},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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