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Title: Materials Data on Ba2Bi6O11 by Materials Project

Abstract

Ba2Bi6O11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ba–O bond distances ranging from 2.43–3.35 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–3.04 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.83 Å. In the third Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.65 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. Inmore » the fifth O2- site, O2- is bonded to one Ba2+ and three equivalent Bi3+ atoms to form distorted corner-sharing OBaBi3 tetrahedra. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Ba2+ and one Bi3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-674537
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; Ba2Bi6O11; Ba-Bi-O
OSTI Identifier:
1282518
DOI:
https://doi.org/10.17188/1282518

Citation Formats

The Materials Project. Materials Data on Ba2Bi6O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282518.
The Materials Project. Materials Data on Ba2Bi6O11 by Materials Project. United States. doi:https://doi.org/10.17188/1282518
The Materials Project. 2020. "Materials Data on Ba2Bi6O11 by Materials Project". United States. doi:https://doi.org/10.17188/1282518. https://www.osti.gov/servlets/purl/1282518. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1282518,
title = {Materials Data on Ba2Bi6O11 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2Bi6O11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ba–O bond distances ranging from 2.43–3.35 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–3.04 Å. In the second Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.83 Å. In the third Bi3+ site, Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.14–2.65 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms. In the fifth O2- site, O2- is bonded to one Ba2+ and three equivalent Bi3+ atoms to form distorted corner-sharing OBaBi3 tetrahedra. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Ba2+ and one Bi3+ atom.},
doi = {10.17188/1282518},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}