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Title: Materials Data on CoBr2(N3O)2 by Materials Project

Abstract

CoN5Br2NO2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four nitrous acid molecules and two CoN5Br2 ribbons oriented in the (0, 0, 1) direction. In each CoN5Br2 ribbon, Co4+ is bonded in a trigonal bipyramidal geometry to five N+1.67- atoms. There are a spread of Co–N bond distances ranging from 1.56–1.98 Å. There are three inequivalent N+1.67- sites. In the first N+1.67- site, N+1.67- is bonded in a single-bond geometry to one Co4+ atom. In the second N+1.67- site, N+1.67- is bonded in a 1-coordinate geometry to one Co4+ and one Br5+ atom. The N–Br bond length is 1.83 Å. In the third N+1.67- site, N+1.67- is bonded in a 1-coordinate geometry to one Co4+ and one Br5+ atom. The N–Br bond length is 1.82 Å. Br5+ is bonded in a water-like geometry to two N+1.67- atoms.

Publication Date:
Other Number(s):
mp-1190668
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; CoBr2(N3O)2; Br-Co-N-O
OSTI Identifier:
1662418
DOI:
https://doi.org/10.17188/1662418

Citation Formats

The Materials Project. Materials Data on CoBr2(N3O)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662418.
The Materials Project. Materials Data on CoBr2(N3O)2 by Materials Project. United States. doi:https://doi.org/10.17188/1662418
The Materials Project. 2020. "Materials Data on CoBr2(N3O)2 by Materials Project". United States. doi:https://doi.org/10.17188/1662418. https://www.osti.gov/servlets/purl/1662418. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1662418,
title = {Materials Data on CoBr2(N3O)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoN5Br2NO2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four nitrous acid molecules and two CoN5Br2 ribbons oriented in the (0, 0, 1) direction. In each CoN5Br2 ribbon, Co4+ is bonded in a trigonal bipyramidal geometry to five N+1.67- atoms. There are a spread of Co–N bond distances ranging from 1.56–1.98 Å. There are three inequivalent N+1.67- sites. In the first N+1.67- site, N+1.67- is bonded in a single-bond geometry to one Co4+ atom. In the second N+1.67- site, N+1.67- is bonded in a 1-coordinate geometry to one Co4+ and one Br5+ atom. The N–Br bond length is 1.83 Å. In the third N+1.67- site, N+1.67- is bonded in a 1-coordinate geometry to one Co4+ and one Br5+ atom. The N–Br bond length is 1.82 Å. Br5+ is bonded in a water-like geometry to two N+1.67- atoms.},
doi = {10.17188/1662418},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}