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Title: Materials Data on AlBiO3 by Materials Project

Abstract

BiAlO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Al3+ is bonded to five O2- atoms to form edge-sharing AlO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.83–1.96 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.72 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Al3+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Al3+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Al3+ and two equivalent Bi3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-775763
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; AlBiO3; Al-Bi-O
OSTI Identifier:
1303487
DOI:
10.17188/1303487

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AlBiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1303487.
Persson, Kristin, & Project, Materials. Materials Data on AlBiO3 by Materials Project. United States. doi:10.17188/1303487.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AlBiO3 by Materials Project". United States. doi:10.17188/1303487. https://www.osti.gov/servlets/purl/1303487. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1303487,
title = {Materials Data on AlBiO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BiAlO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Al3+ is bonded to five O2- atoms to form edge-sharing AlO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.83–1.96 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.72 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Al3+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Al3+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Al3+ and two equivalent Bi3+ atoms.},
doi = {10.17188/1303487},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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