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Title: Materials Data on NbBr4 by Materials Project

Abstract

NbBr4 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two NbBr4 ribbons oriented in the (0, 1, 0) direction. Nb4+ is bonded to six Br1- atoms to form edge-sharing NbBr6 octahedra. There are a spread of Nb–Br bond distances ranging from 2.49–2.72 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a water-like geometry to two equivalent Nb4+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Nb4+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Nb4+ atom.

Publication Date:
Other Number(s):
mp-1080428
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; NbBr4; Br-Nb
OSTI Identifier:
1662588
DOI:
https://doi.org/10.17188/1662588

Citation Formats

The Materials Project. Materials Data on NbBr4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662588.
The Materials Project. Materials Data on NbBr4 by Materials Project. United States. doi:https://doi.org/10.17188/1662588
The Materials Project. 2020. "Materials Data on NbBr4 by Materials Project". United States. doi:https://doi.org/10.17188/1662588. https://www.osti.gov/servlets/purl/1662588. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1662588,
title = {Materials Data on NbBr4 by Materials Project},
author = {The Materials Project},
abstractNote = {NbBr4 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two NbBr4 ribbons oriented in the (0, 1, 0) direction. Nb4+ is bonded to six Br1- atoms to form edge-sharing NbBr6 octahedra. There are a spread of Nb–Br bond distances ranging from 2.49–2.72 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a water-like geometry to two equivalent Nb4+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Nb4+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Nb4+ atom.},
doi = {10.17188/1662588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}