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Title: Materials Data on BaBiO3 by Materials Project

Abstract

BaBiO3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba is bonded in a 3-coordinate geometry to nine equivalent O atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.15 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to six equivalent O atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Bi–O bond lengths are 2.17 Å. In the second Bi site, Bi is bonded to six equivalent O atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Bi–O bond lengths are 2.31 Å. O is bonded in a 5-coordinate geometry to three equivalent Ba and two Bi atoms.

Authors:
Publication Date:
Other Number(s):
mp-23482
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; BaBiO3; Ba-Bi-O
OSTI Identifier:
1199536
DOI:
https://doi.org/10.17188/1199536

Citation Formats

The Materials Project. Materials Data on BaBiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199536.
The Materials Project. Materials Data on BaBiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1199536
The Materials Project. 2020. "Materials Data on BaBiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1199536. https://www.osti.gov/servlets/purl/1199536. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199536,
title = {Materials Data on BaBiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaBiO3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba is bonded in a 3-coordinate geometry to nine equivalent O atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.15 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to six equivalent O atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Bi–O bond lengths are 2.17 Å. In the second Bi site, Bi is bonded to six equivalent O atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 20°. All Bi–O bond lengths are 2.31 Å. O is bonded in a 5-coordinate geometry to three equivalent Ba and two Bi atoms.},
doi = {10.17188/1199536},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}