Materials Data on Nb3AgTe4 by Materials Project
Abstract
Nb3AgTe4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Nb+2.33+ sites. In the first Nb+2.33+ site, Nb+2.33+ is bonded to six Te2- atoms to form a mixture of distorted face, edge, and corner-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–67°. There are a spread of Nb–Te bond distances ranging from 2.76–3.13 Å. In the second Nb+2.33+ site, Nb+2.33+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Nb–Te bond distances ranging from 2.76–3.12 Å. In the third Nb+2.33+ site, Nb+2.33+ is bonded to six Te2- atoms to form a mixture of distorted face, edge, and corner-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–67°. There are a spread of Nb–Te bond distances ranging from 2.86–3.03 Å. Ag1+ is bonded in a 6-coordinate geometry to two equivalent Ag1+ and four Te2- atoms. Both Ag–Ag bond lengths are 2.45 Å. There are two shorter (3.02 Å) and two longer (3.04 Å) Ag–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to seven Nb+2.33+ atoms. In the second Te2- site, Te2- is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1189406
- 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; Nb3AgTe4; Ag-Nb-Te
- OSTI Identifier:
- 1662645
- DOI:
- https://doi.org/10.17188/1662645
Citation Formats
The Materials Project. Materials Data on Nb3AgTe4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1662645.
The Materials Project. Materials Data on Nb3AgTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1662645
The Materials Project. 2019.
"Materials Data on Nb3AgTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1662645. https://www.osti.gov/servlets/purl/1662645. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1662645,
title = {Materials Data on Nb3AgTe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb3AgTe4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Nb+2.33+ sites. In the first Nb+2.33+ site, Nb+2.33+ is bonded to six Te2- atoms to form a mixture of distorted face, edge, and corner-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–67°. There are a spread of Nb–Te bond distances ranging from 2.76–3.13 Å. In the second Nb+2.33+ site, Nb+2.33+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Nb–Te bond distances ranging from 2.76–3.12 Å. In the third Nb+2.33+ site, Nb+2.33+ is bonded to six Te2- atoms to form a mixture of distorted face, edge, and corner-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 47–67°. There are a spread of Nb–Te bond distances ranging from 2.86–3.03 Å. Ag1+ is bonded in a 6-coordinate geometry to two equivalent Ag1+ and four Te2- atoms. Both Ag–Ag bond lengths are 2.45 Å. There are two shorter (3.02 Å) and two longer (3.04 Å) Ag–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to seven Nb+2.33+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to four Nb+2.33+ and two equivalent Ag1+ atoms. In the third Te2- site, Te2- is bonded to four Nb+2.33+ atoms to form a mixture of distorted edge and corner-sharing TeNb4 trigonal pyramids. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to four Nb+2.33+ and two equivalent Ag1+ atoms.},
doi = {10.17188/1662645},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}