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Title: Materials Data on Bi2O3 by Materials Project

Abstract

Bi2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Bi–O bond lengths are 2.43 Å. In the second Bi3+ site, Bi3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Bi–O bond distances ranging from 2.31–2.56 Å. O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1204405
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; Bi2O3; Bi-O
OSTI Identifier:
1651877
DOI:
https://doi.org/10.17188/1651877

Citation Formats

The Materials Project. Materials Data on Bi2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651877.
The Materials Project. Materials Data on Bi2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1651877
The Materials Project. 2020. "Materials Data on Bi2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1651877. https://www.osti.gov/servlets/purl/1651877. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1651877,
title = {Materials Data on Bi2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Bi–O bond lengths are 2.43 Å. In the second Bi3+ site, Bi3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Bi–O bond distances ranging from 2.31–2.56 Å. O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 trigonal pyramids.},
doi = {10.17188/1651877},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Works referenced in this record: