U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AlVO3 by Materials Project
Abstract
AlVO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with nine equivalent AlO6 octahedra, edges with three equivalent VO6 octahedra, and a faceface with one AlO6 octahedra. The corner-sharing octahedra tilt angles range from 45–60°. There are three shorter (2.01 Å) and three longer (2.11 Å) V–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with nine equivalent VO6 octahedra, edges with three equivalent AlO6 octahedra, and a faceface with one VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–60°. There is three shorter (1.88 Å) and three longer (2.00 Å) Al–O bond length. O2- is bonded to two equivalent V3+ and two equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl2V2 trigonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1178549
- 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; AlVO3; Al-O-V
- OSTI Identifier:
- 1655195
- DOI:
- https://doi.org/10.17188/1655195
Citation Formats
The Materials Project. Materials Data on AlVO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1655195.
The Materials Project. Materials Data on AlVO3 by Materials Project. United States. doi:https://doi.org/10.17188/1655195
The Materials Project. 2020.
"Materials Data on AlVO3 by Materials Project". United States. doi:https://doi.org/10.17188/1655195. https://www.osti.gov/servlets/purl/1655195. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1655195,
title = {Materials Data on AlVO3 by Materials Project},
author = {The Materials Project},
abstractNote = {AlVO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with nine equivalent AlO6 octahedra, edges with three equivalent VO6 octahedra, and a faceface with one AlO6 octahedra. The corner-sharing octahedra tilt angles range from 45–60°. There are three shorter (2.01 Å) and three longer (2.11 Å) V–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with nine equivalent VO6 octahedra, edges with three equivalent AlO6 octahedra, and a faceface with one VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–60°. There is three shorter (1.88 Å) and three longer (2.00 Å) Al–O bond length. O2- is bonded to two equivalent V3+ and two equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl2V2 trigonal pyramids.},
doi = {10.17188/1655195},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}