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Title: Materials Data on BaHBrO by Materials Project

Abstract

BaHOBr crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to three equivalent O2- and five equivalent Br1- atoms. There are one shorter (2.64 Å) and two longer (2.66 Å) Ba–O bond lengths. There are two shorter (3.52 Å) and three longer (3.53 Å) Ba–Br bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one H1+ atom. Br1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms.

Publication Date:
Other Number(s):
mp-643036
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; BaHBrO; Ba-Br-H-O
OSTI Identifier:
1280244
DOI:
10.17188/1280244

Citation Formats

The Materials Project. Materials Data on BaHBrO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280244.
The Materials Project. Materials Data on BaHBrO by Materials Project. United States. doi:10.17188/1280244.
The Materials Project. 2020. "Materials Data on BaHBrO by Materials Project". United States. doi:10.17188/1280244. https://www.osti.gov/servlets/purl/1280244. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1280244,
title = {Materials Data on BaHBrO by Materials Project},
author = {The Materials Project},
abstractNote = {BaHOBr crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to three equivalent O2- and five equivalent Br1- atoms. There are one shorter (2.64 Å) and two longer (2.66 Å) Ba–O bond lengths. There are two shorter (3.52 Å) and three longer (3.53 Å) Ba–Br bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one H1+ atom. Br1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms.},
doi = {10.17188/1280244},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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