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Title: Materials Data on CoBr2N6O by Materials Project

Abstract

CoN5NO(Br)2 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules, four nitroxyl molecules, and four CoN5 clusters. In each CoN5 cluster, Co2+ is bonded in a distorted single-bond geometry to five N+1.67- atoms. There is one shorter (1.50 Å) and four longer (1.96 Å) Co–N bond length. There are three inequivalent N+1.67- sites. In the first N+1.67- site, N+1.67- is bonded in a distorted T-shaped geometry to one Co2+ and two equivalent N+1.67- atoms. Both N–N bond lengths are 1.42 Å. In the second N+1.67- site, N+1.67- is bonded in a distorted T-shaped geometry to one Co2+ and two equivalent N+1.67- atoms. In the third N+1.67- site, N+1.67- is bonded in a single-bond geometry to one Co2+ atom.

Publication Date:
Other Number(s):
mp-1182488
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; CoBr2N6O; Br-Co-N-O
OSTI Identifier:
1744971
DOI:
https://doi.org/10.17188/1744971

Citation Formats

The Materials Project. Materials Data on CoBr2N6O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744971.
The Materials Project. Materials Data on CoBr2N6O by Materials Project. United States. doi:https://doi.org/10.17188/1744971
The Materials Project. 2020. "Materials Data on CoBr2N6O by Materials Project". United States. doi:https://doi.org/10.17188/1744971. https://www.osti.gov/servlets/purl/1744971. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1744971,
title = {Materials Data on CoBr2N6O by Materials Project},
author = {The Materials Project},
abstractNote = {CoN5NO(Br)2 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules, four nitroxyl molecules, and four CoN5 clusters. In each CoN5 cluster, Co2+ is bonded in a distorted single-bond geometry to five N+1.67- atoms. There is one shorter (1.50 Å) and four longer (1.96 Å) Co–N bond length. There are three inequivalent N+1.67- sites. In the first N+1.67- site, N+1.67- is bonded in a distorted T-shaped geometry to one Co2+ and two equivalent N+1.67- atoms. Both N–N bond lengths are 1.42 Å. In the second N+1.67- site, N+1.67- is bonded in a distorted T-shaped geometry to one Co2+ and two equivalent N+1.67- atoms. In the third N+1.67- site, N+1.67- is bonded in a single-bond geometry to one Co2+ atom.},
doi = {10.17188/1744971},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}