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

Title: Materials Data on BaHIO by Materials Project

Abstract

BaHOI 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 I1- atoms. All Ba–O bond lengths are 2.66 Å. There are a spread of Ba–I bond distances ranging from 3.73–3.75 Å. 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. I1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms.

Publication Date:
Other Number(s):
mp-643384
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; BaHIO; Ba-H-I-O
OSTI Identifier:
1280302
DOI:
10.17188/1280302

Citation Formats

The Materials Project. Materials Data on BaHIO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280302.
The Materials Project. Materials Data on BaHIO by Materials Project. United States. doi:10.17188/1280302.
The Materials Project. 2020. "Materials Data on BaHIO by Materials Project". United States. doi:10.17188/1280302. https://www.osti.gov/servlets/purl/1280302. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1280302,
title = {Materials Data on BaHIO by Materials Project},
author = {The Materials Project},
abstractNote = {BaHOI 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 I1- atoms. All Ba–O bond lengths are 2.66 Å. There are a spread of Ba–I bond distances ranging from 3.73–3.75 Å. 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. I1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ atoms.},
doi = {10.17188/1280302},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: