Materials Data on Nb6CdSe8 by Materials Project
Abstract
Nb6CdSe8 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Nb+2.33+ is bonded to six Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NbSe6 octahedra. The corner-sharing octahedra tilt angles range from 45–53°. There are a spread of Nb–Se bond distances ranging from 2.61–2.81 Å. Cd2+ is bonded in a distorted hexagonal planar geometry to six equivalent Se2- atoms. All Cd–Se bond lengths are 3.35 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to six equivalent Nb+2.33+ atoms to form distorted face-sharing SeNb6 pentagonal pyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Nb+2.33+ and one Cd2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1220613
- 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; Nb6CdSe8; Cd-Nb-Se
- OSTI Identifier:
- 1684484
- DOI:
- https://doi.org/10.17188/1684484
Citation Formats
The Materials Project. Materials Data on Nb6CdSe8 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1684484.
The Materials Project. Materials Data on Nb6CdSe8 by Materials Project. United States. doi:https://doi.org/10.17188/1684484
The Materials Project. 2019.
"Materials Data on Nb6CdSe8 by Materials Project". United States. doi:https://doi.org/10.17188/1684484. https://www.osti.gov/servlets/purl/1684484. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1684484,
title = {Materials Data on Nb6CdSe8 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb6CdSe8 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Nb+2.33+ is bonded to six Se2- atoms to form a mixture of distorted face, edge, and corner-sharing NbSe6 octahedra. The corner-sharing octahedra tilt angles range from 45–53°. There are a spread of Nb–Se bond distances ranging from 2.61–2.81 Å. Cd2+ is bonded in a distorted hexagonal planar geometry to six equivalent Se2- atoms. All Cd–Se bond lengths are 3.35 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to six equivalent Nb+2.33+ atoms to form distorted face-sharing SeNb6 pentagonal pyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Nb+2.33+ and one Cd2+ atom.},
doi = {10.17188/1684484},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}