U.S. Department of EnergyOffice of Scientific and Technical Information
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 = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}