U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al2V2O7 by Materials Project
Abstract
V2Al2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. V4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All V–O bond lengths are 1.93 Å. Al3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.06 Å) and six longer (2.22 Å) Al–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Al3+ atoms to form OAl4 tetrahedra that share corners with sixteen OAl4 tetrahedra and edges with six equivalent OAl2V2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent V4+ and two equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing OAl2V2 tetrahedra.
- Publication Date:
- Other Number(s):
- mvc-16014
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Al-O-V; Al2V2O7; crystal structure
- OSTI Identifier:
- 1319615
- DOI:
- https://doi.org/10.17188/1319615
Citation Formats
Materials Data on Al2V2O7 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1319615.
Materials Data on Al2V2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1319615
2014.
"Materials Data on Al2V2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1319615. https://www.osti.gov/servlets/purl/1319615. Pub date:Tue Sep 30 00:00:00 EDT 2014
@article{osti_1319615,
title = {Materials Data on Al2V2O7 by Materials Project},
abstractNote = {V2Al2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. V4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All V–O bond lengths are 1.93 Å. Al3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.06 Å) and six longer (2.22 Å) Al–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Al3+ atoms to form OAl4 tetrahedra that share corners with sixteen OAl4 tetrahedra and edges with six equivalent OAl2V2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent V4+ and two equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing OAl2V2 tetrahedra.},
doi = {10.17188/1319615},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {9}
}