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Title: Materials Data on CuBr4(NO)2 by Materials Project

Abstract

Cu(OBr)2N2(Br)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is one-dimensional and consists of four hydrobromic acid molecules; two Cu(OBr)2 ribbons oriented in the (0, 0, 1) direction; and two N2 ribbons oriented in the (0, 0, 1) direction. In each Cu(OBr)2 ribbon, Cu2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent Br2+ atoms. Both O–Br bond lengths are 2.09 Å. Br2+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. In each N2 ribbon, N3- is bonded in a linear geometry to two equivalent N3- atoms. Both N–N bond lengths are 3.08 Å.

Publication Date:
Other Number(s):
mp-1213405
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; CuBr4(NO)2; Br-Cu-N-O
OSTI Identifier:
1684565
DOI:
https://doi.org/10.17188/1684565

Citation Formats

The Materials Project. Materials Data on CuBr4(NO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684565.
The Materials Project. Materials Data on CuBr4(NO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1684565
The Materials Project. 2020. "Materials Data on CuBr4(NO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1684565. https://www.osti.gov/servlets/purl/1684565. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1684565,
title = {Materials Data on CuBr4(NO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu(OBr)2N2(Br)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is one-dimensional and consists of four hydrobromic acid molecules; two Cu(OBr)2 ribbons oriented in the (0, 0, 1) direction; and two N2 ribbons oriented in the (0, 0, 1) direction. In each Cu(OBr)2 ribbon, Cu2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent Br2+ atoms. Both O–Br bond lengths are 2.09 Å. Br2+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. In each N2 ribbon, N3- is bonded in a linear geometry to two equivalent N3- atoms. Both N–N bond lengths are 3.08 Å.},
doi = {10.17188/1684565},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}