U.S. Department of EnergyOffice of Scientific and Technical Information
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
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cu-Nb-Te; NbCuTe2; crystal structure
- OSTI Identifier:
- 1205718
- DOI:
- https://doi.org/10.17188/1205718
Citation Formats
Materials Data on NbCuTe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205718.
Materials Data on NbCuTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1205718
2020.
"Materials Data on NbCuTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1205718. https://www.osti.gov/servlets/purl/1205718. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1205718,
title = {Materials Data on NbCuTe2 by 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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