U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiAlVO4 by Materials Project
Abstract
LiVAlO4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four VO4 tetrahedra and corners with four AlO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.99–2.04 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four VO4 tetrahedra and corners with four AlO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.01 Å. There are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four LiO4 tetrahedra and corners with four AlO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.82–1.84 Å. In the second V4+ site, V4+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four LiO4 tetrahedra and corners with four AlO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.82–1.84 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-770509
- 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; LiAlVO4; Al-Li-O-V
- OSTI Identifier:
- 1299827
- DOI:
- https://doi.org/10.17188/1299827
Citation Formats
The Materials Project. Materials Data on LiAlVO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1299827.
The Materials Project. Materials Data on LiAlVO4 by Materials Project. United States. doi:https://doi.org/10.17188/1299827
The Materials Project. 2020.
"Materials Data on LiAlVO4 by Materials Project". United States. doi:https://doi.org/10.17188/1299827. https://www.osti.gov/servlets/purl/1299827. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1299827,
title = {Materials Data on LiAlVO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVAlO4 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four VO4 tetrahedra and corners with four AlO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.99–2.04 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four VO4 tetrahedra and corners with four AlO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.01 Å. There are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four LiO4 tetrahedra and corners with four AlO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.82–1.84 Å. In the second V4+ site, V4+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four LiO4 tetrahedra and corners with four AlO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.82–1.84 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four LiO4 tetrahedra and corners with four VO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.76–1.79 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four LiO4 tetrahedra and corners with four VO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.77–1.79 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one V4+, and one Al3+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one V4+, and one Al3+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one V4+, and one Al3+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one V4+, and one Al3+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one V4+, and one Al3+ atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one V4+, and one Al3+ atom. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one V4+, and one Al3+ atom. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one V4+, and one Al3+ atom.},
doi = {10.17188/1299827},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}