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

Title: Materials Data on H3BrO by Materials Project

Abstract

H3OBr crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one H3OBr sheet oriented in the (1, 1, 1) direction. there are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one Br1- atom. The H–O bond length is 1.03 Å. The H–Br bond length is 2.08 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one Br1- atom. The H–O bond length is 1.03 Å. The H–Br bond length is 2.08 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Br1- atom. The H–O bond length is 1.03 Å. The H–Br bond length is 2.09 Å. O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. Br1- is bonded in a trigonal non-coplanar geometry to three H1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-625521
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; H3BrO; Br-H-O
OSTI Identifier:
1278408
DOI:
https://doi.org/10.17188/1278408

Citation Formats

The Materials Project. Materials Data on H3BrO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278408.
The Materials Project. Materials Data on H3BrO by Materials Project. United States. doi:https://doi.org/10.17188/1278408
The Materials Project. 2020. "Materials Data on H3BrO by Materials Project". United States. doi:https://doi.org/10.17188/1278408. https://www.osti.gov/servlets/purl/1278408. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1278408,
title = {Materials Data on H3BrO by Materials Project},
author = {The Materials Project},
abstractNote = {H3OBr crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one H3OBr sheet oriented in the (1, 1, 1) direction. there are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one Br1- atom. The H–O bond length is 1.03 Å. The H–Br bond length is 2.08 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one Br1- atom. The H–O bond length is 1.03 Å. The H–Br bond length is 2.08 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Br1- atom. The H–O bond length is 1.03 Å. The H–Br bond length is 2.09 Å. O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. Br1- is bonded in a trigonal non-coplanar geometry to three H1+ atoms.},
doi = {10.17188/1278408},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}