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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, face, and corner-sharing NbBr6 octahedra. The corner-sharing octahedral tilt angles are 79°. There are a spread of Nb–Br bond distances ranging from 2.66–2.71 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.

Publication Date:
Other Number(s):
mp-568616
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; Nb2Br5; Br-Nb
OSTI Identifier:
1274548
DOI:
10.17188/1274548

Citation Formats

The Materials Project. Materials Data on Nb2Br5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274548.
The Materials Project. Materials Data on Nb2Br5 by Materials Project. United States. doi:10.17188/1274548.
The Materials Project. 2020. "Materials Data on Nb2Br5 by Materials Project". United States. doi:10.17188/1274548. https://www.osti.gov/servlets/purl/1274548. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1274548,
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, face, and corner-sharing NbBr6 octahedra. The corner-sharing octahedral tilt angles are 79°. There are a spread of Nb–Br bond distances ranging from 2.66–2.71 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 = {10.17188/1274548},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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