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Title: Materials Data on Co(BrO3)2 by Materials Project

Abstract

CoO4BrO2Br crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two hydrobromic acid molecules; two hydrogen peroxide molecules; and one CoO4Br ribbon oriented in the (0, 1, 0) direction. In the CoO4Br ribbon, Co2+ is bonded in a linear geometry to four O2- atoms. There are two shorter (1.76 Å) and two longer (2.85 Å) Co–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Co2+ and two O2- atoms. There are one shorter (1.24 Å) and one longer (2.96 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Co2+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one O2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one O2- and one Br5+ atom. The O–Br bond length is 1.73 Å. Br5+ is bonded in a single-bond geometry to one O2- atom.

Publication Date:
Other Number(s):
mp-1181907
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; Co(BrO3)2; Br-Co-O
OSTI Identifier:
1662563
DOI:
https://doi.org/10.17188/1662563

Citation Formats

The Materials Project. Materials Data on Co(BrO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662563.
The Materials Project. Materials Data on Co(BrO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1662563
The Materials Project. 2020. "Materials Data on Co(BrO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1662563. https://www.osti.gov/servlets/purl/1662563. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1662563,
title = {Materials Data on Co(BrO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoO4BrO2Br crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two hydrobromic acid molecules; two hydrogen peroxide molecules; and one CoO4Br ribbon oriented in the (0, 1, 0) direction. In the CoO4Br ribbon, Co2+ is bonded in a linear geometry to four O2- atoms. There are two shorter (1.76 Å) and two longer (2.85 Å) Co–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Co2+ and two O2- atoms. There are one shorter (1.24 Å) and one longer (2.96 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Co2+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one O2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one O2- and one Br5+ atom. The O–Br bond length is 1.73 Å. Br5+ is bonded in a single-bond geometry to one O2- atom.},
doi = {10.17188/1662563},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}