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Title: 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.

Publication Date:
Other Number(s):
mp-1220613
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; 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}
}