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

Title: Materials Data on BaIBr by Materials Project

Abstract

BaBrI crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to five equivalent I1- and four equivalent Br1- atoms. There are a spread of Ba–I bond distances ranging from 3.69–3.78 Å. There are a spread of Ba–Br bond distances ranging from 3.33–3.36 Å. I1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms. Br1- is bonded to four equivalent Ba2+ atoms to form a mixture of distorted edge and corner-sharing BrBa4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1214491
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; BaIBr; Ba-Br-I
OSTI Identifier:
1753635
DOI:
https://doi.org/10.17188/1753635

Citation Formats

The Materials Project. Materials Data on BaIBr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753635.
The Materials Project. Materials Data on BaIBr by Materials Project. United States. doi:https://doi.org/10.17188/1753635
The Materials Project. 2020. "Materials Data on BaIBr by Materials Project". United States. doi:https://doi.org/10.17188/1753635. https://www.osti.gov/servlets/purl/1753635. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1753635,
title = {Materials Data on BaIBr by Materials Project},
author = {The Materials Project},
abstractNote = {BaBrI crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to five equivalent I1- and four equivalent Br1- atoms. There are a spread of Ba–I bond distances ranging from 3.69–3.78 Å. There are a spread of Ba–Br bond distances ranging from 3.33–3.36 Å. I1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms. Br1- is bonded to four equivalent Ba2+ atoms to form a mixture of distorted edge and corner-sharing BrBa4 tetrahedra.},
doi = {10.17188/1753635},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}