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Title: Materials Data on BaBrF by Materials Project

Abstract

BaFBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to five equivalent Br1- and four equivalent F1- atoms. There are four shorter (3.45 Å) and one longer (3.46 Å) Ba–Br bond lengths. All Ba–F bond lengths are 2.71 Å. Br1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ and four equivalent F1- atoms. All Br–F bond lengths are 3.51 Å. F1- is bonded to four equivalent Ba2+ and four equivalent Br1- atoms to form a mixture of edge and face-sharing FBa4Br4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-23070
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BaBrF; Ba-Br-F
OSTI Identifier:
1199213
DOI:
https://doi.org/10.17188/1199213

Citation Formats

The Materials Project. Materials Data on BaBrF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199213.
The Materials Project. Materials Data on BaBrF by Materials Project. United States. doi:https://doi.org/10.17188/1199213
The Materials Project. 2020. "Materials Data on BaBrF by Materials Project". United States. doi:https://doi.org/10.17188/1199213. https://www.osti.gov/servlets/purl/1199213. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199213,
title = {Materials Data on BaBrF by Materials Project},
author = {The Materials Project},
abstractNote = {BaFBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to five equivalent Br1- and four equivalent F1- atoms. There are four shorter (3.45 Å) and one longer (3.46 Å) Ba–Br bond lengths. All Ba–F bond lengths are 2.71 Å. Br1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ and four equivalent F1- atoms. All Br–F bond lengths are 3.51 Å. F1- is bonded to four equivalent Ba2+ and four equivalent Br1- atoms to form a mixture of edge and face-sharing FBa4Br4 tetrahedra.},
doi = {10.17188/1199213},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}