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Title: Materials Data on LiAlVO4 by Materials Project

Abstract

LiVAlO4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent VO4 tetrahedra and corners with four equivalent AlO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.08 Å. V4+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent VO4 tetrahedra, corners with two equivalent AlO4 tetrahedra, and corners with four equivalent LiO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.81–1.88 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with two equivalent VO4 tetrahedra, corners with two equivalent AlO4 tetrahedra, and corners with four equivalent LiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two equivalent V4+ atoms. 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 geometrymore » 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+ and two equivalent Al3+ atoms.« less

Publication Date:
Other Number(s):
mp-770365
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiAlVO4; Al-Li-O-V
OSTI Identifier:
1299728
DOI:
10.17188/1299728

Citation Formats

The Materials Project. Materials Data on LiAlVO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1299728.
The Materials Project. Materials Data on LiAlVO4 by Materials Project. United States. doi:10.17188/1299728.
The Materials Project. 2020. "Materials Data on LiAlVO4 by Materials Project". United States. doi:10.17188/1299728. https://www.osti.gov/servlets/purl/1299728. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1299728,
title = {Materials Data on LiAlVO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVAlO4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent VO4 tetrahedra and corners with four equivalent AlO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.08 Å. V4+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent VO4 tetrahedra, corners with two equivalent AlO4 tetrahedra, and corners with four equivalent LiO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.81–1.88 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with two equivalent VO4 tetrahedra, corners with two equivalent AlO4 tetrahedra, and corners with four equivalent LiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two equivalent V4+ atoms. 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+ and two equivalent Al3+ atoms.},
doi = {10.17188/1299728},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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