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Title: Materials Data on Nb2Br5 by Materials Project

Abstract

Nb2Br5 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two Nb2Br5 ribbons oriented in the (0, 0, 1) direction. Nb+2.50+ is bonded to six Br1- atoms to form a mixture of edge, corner, and face-sharing NbBr6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Nb–Br bond distances ranging from 2.64–2.79 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Nb+2.50+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Nb+2.50+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Nb+2.50+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-655086
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; Nb2Br5; Br-Nb
OSTI Identifier:
1733465
DOI:
https://doi.org/10.17188/1733465

Citation Formats

The Materials Project. Materials Data on Nb2Br5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1733465.
The Materials Project. Materials Data on Nb2Br5 by Materials Project. United States. doi:https://doi.org/10.17188/1733465
The Materials Project. 2020. "Materials Data on Nb2Br5 by Materials Project". United States. doi:https://doi.org/10.17188/1733465. https://www.osti.gov/servlets/purl/1733465. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1733465,
title = {Materials Data on Nb2Br5 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb2Br5 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two Nb2Br5 ribbons oriented in the (0, 0, 1) direction. Nb+2.50+ is bonded to six Br1- atoms to form a mixture of edge, corner, and face-sharing NbBr6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Nb–Br bond distances ranging from 2.64–2.79 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Nb+2.50+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Nb+2.50+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Nb+2.50+ atoms.},
doi = {10.17188/1733465},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}