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Title: Materials Data on AlBiO3 by Materials Project

Abstract

BiAlO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Al3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Al–O bond lengths are 2.25 Å. Bi3+ is bonded to five O2- atoms to form corner-sharing BiO5 trigonal bipyramids. There are three shorter (2.10 Å) and two longer (2.42 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to three equivalent Al3+ and one Bi3+ atom to form a mixture of corner and edge-sharing OAl3Bi tetrahedra.

Authors:
Publication Date:
Other Number(s):
mvc-13972
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; AlBiO3; Al-Bi-O
OSTI Identifier:
1319009
DOI:
https://doi.org/10.17188/1319009

Citation Formats

The Materials Project. Materials Data on AlBiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319009.
The Materials Project. Materials Data on AlBiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1319009
The Materials Project. 2020. "Materials Data on AlBiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1319009. https://www.osti.gov/servlets/purl/1319009. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1319009,
title = {Materials Data on AlBiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BiAlO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Al3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Al–O bond lengths are 2.25 Å. Bi3+ is bonded to five O2- atoms to form corner-sharing BiO5 trigonal bipyramids. There are three shorter (2.10 Å) and two longer (2.42 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to three equivalent Al3+ and one Bi3+ atom to form a mixture of corner and edge-sharing OAl3Bi tetrahedra.},
doi = {10.17188/1319009},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}