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Title: Materials Data on LiAlVO4 by Materials Project

Abstract

LiVAlO4 is Spinel-derived structured and crystallizes in the tetragonal P4_322 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent AlO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four equivalent VO6 octahedra. There are a spread of Li–O bond distances ranging from 2.03–2.20 Å. V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent AlO4 tetrahedra, edges with two equivalent VO6 octahedra, and edges with four equivalent LiO6 octahedra. There are a spread of V–O bond distances ranging from 1.87–2.08 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with six equivalent LiO6 octahedra and corners with six equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 51–60°. There is two shorter (1.78 Å) and two longer (1.82 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Li1+, one V4+, and one Al3+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two equivalentmore » V4+, and one Al3+ atom.« less

Publication Date:
Other Number(s):
mp-770414
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:
1299770
DOI:
10.17188/1299770

Citation Formats

The Materials Project. Materials Data on LiAlVO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1299770.
The Materials Project. Materials Data on LiAlVO4 by Materials Project. United States. doi:10.17188/1299770.
The Materials Project. 2020. "Materials Data on LiAlVO4 by Materials Project". United States. doi:10.17188/1299770. https://www.osti.gov/servlets/purl/1299770. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1299770,
title = {Materials Data on LiAlVO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVAlO4 is Spinel-derived structured and crystallizes in the tetragonal P4_322 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent AlO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four equivalent VO6 octahedra. There are a spread of Li–O bond distances ranging from 2.03–2.20 Å. V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent AlO4 tetrahedra, edges with two equivalent VO6 octahedra, and edges with four equivalent LiO6 octahedra. There are a spread of V–O bond distances ranging from 1.87–2.08 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with six equivalent LiO6 octahedra and corners with six equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 51–60°. There is two shorter (1.78 Å) and two longer (1.82 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent Li1+, one V4+, and one Al3+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two equivalent V4+, and one Al3+ atom.},
doi = {10.17188/1299770},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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