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Title: Materials Data on AlBiO3 by Materials Project

Abstract

BiAlO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with eight equivalent BiO6 octahedra and corners with two equivalent AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–87°. There are a spread of Al–O bond distances ranging from 1.76–1.85 Å. Bi3+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share corners with six equivalent BiO6 octahedra and corners with eight equivalent AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 64–70°. There are a spread of Bi–O bond distances ranging from 2.31–2.78 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Al3+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Al3+ and two equivalent Bi3+ atoms.

Authors:
Publication Date:
Other Number(s):
mvc-3826
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:
1320737
DOI:
https://doi.org/10.17188/1320737

Citation Formats

The Materials Project. Materials Data on AlBiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320737.
The Materials Project. Materials Data on AlBiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1320737
The Materials Project. 2020. "Materials Data on AlBiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1320737. https://www.osti.gov/servlets/purl/1320737. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1320737,
title = {Materials Data on AlBiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BiAlO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with eight equivalent BiO6 octahedra and corners with two equivalent AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–87°. There are a spread of Al–O bond distances ranging from 1.76–1.85 Å. Bi3+ is bonded to six O2- atoms to form distorted BiO6 octahedra that share corners with six equivalent BiO6 octahedra and corners with eight equivalent AlO4 tetrahedra. The corner-sharing octahedra tilt angles range from 64–70°. There are a spread of Bi–O bond distances ranging from 2.31–2.78 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Al3+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Al3+ and two equivalent Bi3+ atoms.},
doi = {10.17188/1320737},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}