DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on BrF3 by Materials Project

Abstract

BrF3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of two BrF3 ribbons oriented in the (0, 0, 1) direction. Br is bonded in a rectangular see-saw-like geometry to four F atoms. There are a spread of Br–F bond distances ranging from 1.80–2.20 Å. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Br atom. In the second F site, F is bonded in a bent 150 degrees geometry to two equivalent Br atoms. In the third F site, F is bonded in a single-bond geometry to one Br atom.

Publication Date:
Other Number(s):
mp-23297
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; BrF3; Br-F
OSTI Identifier:
1199403
DOI:
https://doi.org/10.17188/1199403

Citation Formats

The Materials Project. Materials Data on BrF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199403.
The Materials Project. Materials Data on BrF3 by Materials Project. United States. doi:https://doi.org/10.17188/1199403
The Materials Project. 2020. "Materials Data on BrF3 by Materials Project". United States. doi:https://doi.org/10.17188/1199403. https://www.osti.gov/servlets/purl/1199403. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199403,
title = {Materials Data on BrF3 by Materials Project},
author = {The Materials Project},
abstractNote = {BrF3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of two BrF3 ribbons oriented in the (0, 0, 1) direction. Br is bonded in a rectangular see-saw-like geometry to four F atoms. There are a spread of Br–F bond distances ranging from 1.80–2.20 Å. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Br atom. In the second F site, F is bonded in a bent 150 degrees geometry to two equivalent Br atoms. In the third F site, F is bonded in a single-bond geometry to one Br atom.},
doi = {10.17188/1199403},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}