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Title: Materials Data on BrO2F by Materials Project

Abstract

O2BrF is Ammonia-derived structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four O2BrF clusters. there are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.63 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.63 Å. Br5+ is bonded in a trigonal non-coplanar geometry to two O2- and one F1- atom. The Br–F bond length is 1.89 Å. F1- is bonded in a single-bond geometry to one Br5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-36262
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; BrO2F; Br-F-O
OSTI Identifier:
1207158
DOI:
10.17188/1207158

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BrO2F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207158.
Persson, Kristin, & Project, Materials. Materials Data on BrO2F by Materials Project. United States. doi:10.17188/1207158.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BrO2F by Materials Project". United States. doi:10.17188/1207158. https://www.osti.gov/servlets/purl/1207158. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1207158,
title = {Materials Data on BrO2F by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {O2BrF is Ammonia-derived structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four O2BrF clusters. there are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.63 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.63 Å. Br5+ is bonded in a trigonal non-coplanar geometry to two O2- and one F1- atom. The Br–F bond length is 1.89 Å. F1- is bonded in a single-bond geometry to one Br5+ atom.},
doi = {10.17188/1207158},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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