U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na(Nb3Te4)2 by Materials Project
Abstract
Na(Nb3Te4)2 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent Te2- atoms. All Na–Te bond lengths are 3.43 Å. Nb+2.50+ is bonded to six Te2- atoms to form a mixture of distorted edge, face, and corner-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 45–57°. There are a spread of Nb–Te bond distances ranging from 2.81–3.04 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Nb+2.50+ atoms to form distorted face-sharing TeNb6 pentagonal pyramids. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to one Na1+ and four equivalent Nb+2.50+ atoms.
- Publication Date:
- Other Number(s):
- mp-1221437
- 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; Na(Nb3Te4)2; Na-Nb-Te; crystal structure
- OSTI Identifier:
- 1738634
- DOI:
- https://doi.org/10.17188/1738634
Citation Formats
Materials Data on Na(Nb3Te4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738634.
Materials Data on Na(Nb3Te4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1738634
2020.
"Materials Data on Na(Nb3Te4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1738634. https://www.osti.gov/servlets/purl/1738634. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1738634,
title = {Materials Data on Na(Nb3Te4)2 by Materials Project},
abstractNote = {Na(Nb3Te4)2 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent Te2- atoms. All Na–Te bond lengths are 3.43 Å. Nb+2.50+ is bonded to six Te2- atoms to form a mixture of distorted edge, face, and corner-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 45–57°. There are a spread of Nb–Te bond distances ranging from 2.81–3.04 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Nb+2.50+ atoms to form distorted face-sharing TeNb6 pentagonal pyramids. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to one Na1+ and four equivalent Nb+2.50+ atoms.},
doi = {10.17188/1738634},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}