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Title: Materials Data on BaBi2O5 by Materials Project

Abstract

BaBi2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.78 Å. Bi4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (2.10 Å) and four longer (2.25 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and two equivalent Bi4+ atoms to form a mixture of distorted corner and edge-sharing OBa2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Bi4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-35915
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; BaBi2O5; Ba-Bi-O
OSTI Identifier:
1207100
DOI:
https://doi.org/10.17188/1207100

Citation Formats

The Materials Project. Materials Data on BaBi2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207100.
The Materials Project. Materials Data on BaBi2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1207100
The Materials Project. 2020. "Materials Data on BaBi2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1207100. https://www.osti.gov/servlets/purl/1207100. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1207100,
title = {Materials Data on BaBi2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {BaBi2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.78 Å. Bi4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are one shorter (2.10 Å) and four longer (2.25 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and two equivalent Bi4+ atoms to form a mixture of distorted corner and edge-sharing OBa2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Bi4+ atoms.},
doi = {10.17188/1207100},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}