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Title: Materials Data on Cu(BrN3)2 by Materials Project

Abstract

CuN6(Br)2 crystallizes in the tetragonal I4/mmm space group. The structure is one-dimensional and consists of four hydrobromic acid molecules and two CuN6 ribbons oriented in the (0, 0, 1) direction. In each CuN6 ribbon, Cu2+ is bonded in a distorted square co-planar geometry to six N2- atoms. There are four shorter (1.83 Å) and two longer (2.78 Å) Cu–N bond lengths. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a distorted linear geometry to one Cu2+ and one N2- atom. The N–N bond length is 1.11 Å. In the second N2- site, N2- is bonded in a single-bond geometry to one Cu2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1181539
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; Cu(BrN3)2; Br-Cu-N
OSTI Identifier:
1717028
DOI:
https://doi.org/10.17188/1717028

Citation Formats

The Materials Project. Materials Data on Cu(BrN3)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1717028.
The Materials Project. Materials Data on Cu(BrN3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1717028
The Materials Project. 2019. "Materials Data on Cu(BrN3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1717028. https://www.osti.gov/servlets/purl/1717028. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1717028,
title = {Materials Data on Cu(BrN3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuN6(Br)2 crystallizes in the tetragonal I4/mmm space group. The structure is one-dimensional and consists of four hydrobromic acid molecules and two CuN6 ribbons oriented in the (0, 0, 1) direction. In each CuN6 ribbon, Cu2+ is bonded in a distorted square co-planar geometry to six N2- atoms. There are four shorter (1.83 Å) and two longer (2.78 Å) Cu–N bond lengths. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a distorted linear geometry to one Cu2+ and one N2- atom. The N–N bond length is 1.11 Å. In the second N2- site, N2- is bonded in a single-bond geometry to one Cu2+ atom.},
doi = {10.17188/1717028},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}