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Title: Materials Data on Co2Br5N9O2 by Materials Project

Abstract

Co2N7O2Br4N2Br crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four hydrobromic acid molecules, four nitrogen molecules, and four Co2N7O2Br4 clusters. In each Co2N7O2Br4 cluster, Co4+ is bonded in a rectangular see-saw-like geometry to four N+1.22- atoms. There are a spread of Co–N bond distances ranging from 1.73–1.95 Å. There are four inequivalent N+1.22- sites. In the first N+1.22- site, N+1.22- is bonded in a distorted single-bond geometry to one Co4+ and one Br+1.40+ atom. The N–Br bond length is 1.82 Å. In the second N+1.22- site, N+1.22- is bonded in a distorted bent 120 degrees geometry to one Co4+ and one O2- atom. The N–O bond length is 1.16 Å. In the third N+1.22- site, N+1.22- is bonded in a bent 120 degrees geometry to two equivalent Co4+ atoms. In the fourth N+1.22- site, N+1.22- is bonded in a 1-coordinate geometry to one Co4+ and one Br+1.40+ atom. The N–Br bond length is 1.83 Å. O2- is bonded in a single-bond geometry to one N+1.22- atom. There are two inequivalent Br+1.40+ sites. In the first Br+1.40+ site, Br+1.40+ is bonded in a single-bond geometry to one N+1.22- atom. In the second Br+1.40+ site, Br+1.40+more » is bonded in a single-bond geometry to one N+1.22- atom.« less

Publication Date:
Other Number(s):
mp-1205046
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; Co2Br5N9O2; Br-Co-N-O
OSTI Identifier:
1655895
DOI:
https://doi.org/10.17188/1655895

Citation Formats

The Materials Project. Materials Data on Co2Br5N9O2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1655895.
The Materials Project. Materials Data on Co2Br5N9O2 by Materials Project. United States. doi:https://doi.org/10.17188/1655895
The Materials Project. 2019. "Materials Data on Co2Br5N9O2 by Materials Project". United States. doi:https://doi.org/10.17188/1655895. https://www.osti.gov/servlets/purl/1655895. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1655895,
title = {Materials Data on Co2Br5N9O2 by Materials Project},
author = {The Materials Project},
abstractNote = {Co2N7O2Br4N2Br crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four hydrobromic acid molecules, four nitrogen molecules, and four Co2N7O2Br4 clusters. In each Co2N7O2Br4 cluster, Co4+ is bonded in a rectangular see-saw-like geometry to four N+1.22- atoms. There are a spread of Co–N bond distances ranging from 1.73–1.95 Å. There are four inequivalent N+1.22- sites. In the first N+1.22- site, N+1.22- is bonded in a distorted single-bond geometry to one Co4+ and one Br+1.40+ atom. The N–Br bond length is 1.82 Å. In the second N+1.22- site, N+1.22- is bonded in a distorted bent 120 degrees geometry to one Co4+ and one O2- atom. The N–O bond length is 1.16 Å. In the third N+1.22- site, N+1.22- is bonded in a bent 120 degrees geometry to two equivalent Co4+ atoms. In the fourth N+1.22- site, N+1.22- is bonded in a 1-coordinate geometry to one Co4+ and one Br+1.40+ atom. The N–Br bond length is 1.83 Å. O2- is bonded in a single-bond geometry to one N+1.22- atom. There are two inequivalent Br+1.40+ sites. In the first Br+1.40+ site, Br+1.40+ is bonded in a single-bond geometry to one N+1.22- atom. In the second Br+1.40+ site, Br+1.40+ is bonded in a single-bond geometry to one N+1.22- atom.},
doi = {10.17188/1655895},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}