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Title: Materials Data on BrN3 by Materials Project

Abstract

BrN3 crystallizes in the tetragonal I4_1cd space group. The structure is zero-dimensional and consists of sixteen BrN3 clusters. there are three inequivalent N+1.67- sites. In the first N+1.67- site, N+1.67- is bonded in a linear geometry to two N+1.67- atoms. There is one shorter (1.15 Å) and one longer (1.24 Å) N–N bond length. In the second N+1.67- site, N+1.67- is bonded in a single-bond geometry to one N+1.67- atom. In the third N+1.67- site, N+1.67- is bonded in a water-like geometry to one N+1.67- and one Br5+ atom. The N–Br bond length is 1.92 Å. Br5+ is bonded in a single-bond geometry to one N+1.67- atom.

Authors:
Publication Date:
Other Number(s):
mp-1198478
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; BrN3; Br-N
OSTI Identifier:
1686933
DOI:
https://doi.org/10.17188/1686933

Citation Formats

The Materials Project. Materials Data on BrN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686933.
The Materials Project. Materials Data on BrN3 by Materials Project. United States. doi:https://doi.org/10.17188/1686933
The Materials Project. 2020. "Materials Data on BrN3 by Materials Project". United States. doi:https://doi.org/10.17188/1686933. https://www.osti.gov/servlets/purl/1686933. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1686933,
title = {Materials Data on BrN3 by Materials Project},
author = {The Materials Project},
abstractNote = {BrN3 crystallizes in the tetragonal I4_1cd space group. The structure is zero-dimensional and consists of sixteen BrN3 clusters. there are three inequivalent N+1.67- sites. In the first N+1.67- site, N+1.67- is bonded in a linear geometry to two N+1.67- atoms. There is one shorter (1.15 Å) and one longer (1.24 Å) N–N bond length. In the second N+1.67- site, N+1.67- is bonded in a single-bond geometry to one N+1.67- atom. In the third N+1.67- site, N+1.67- is bonded in a water-like geometry to one N+1.67- and one Br5+ atom. The N–Br bond length is 1.92 Å. Br5+ is bonded in a single-bond geometry to one N+1.67- atom.},
doi = {10.17188/1686933},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}