skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LiVFeO4 by Materials Project

Abstract

LiFeVO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with six equivalent VO6 octahedra and corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 57–61°. There are two shorter (1.99 Å) and two longer (2.06 Å) Li–O bond lengths. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent VO6 octahedra, and edges with four equivalent FeO6 octahedra. There is four shorter (1.97 Å) and two longer (1.98 Å) V–O bond length. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent FeO6 octahedra, and edges with four equivalent VO6 octahedra. There are four shorter (2.03 Å) and two longer (2.09 Å) Fe–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, one V5+, and two equivalent Fe2+ atoms to form a mixture of distorted edge and corner-sharing OLiVFe2 trigonal pyramids. In the second O2- site, O2- is bondedmore » in a distorted rectangular see-saw-like geometry to one Li1+, two equivalent V5+, and one Fe2+ atom.« less

Publication Date:
Other Number(s):
mp-775175
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; LiVFeO4; Fe-Li-O-V
OSTI Identifier:
1302827
DOI:
10.17188/1302827

Citation Formats

The Materials Project. Materials Data on LiVFeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302827.
The Materials Project. Materials Data on LiVFeO4 by Materials Project. United States. doi:10.17188/1302827.
The Materials Project. 2020. "Materials Data on LiVFeO4 by Materials Project". United States. doi:10.17188/1302827. https://www.osti.gov/servlets/purl/1302827. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1302827,
title = {Materials Data on LiVFeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiFeVO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with six equivalent VO6 octahedra and corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 57–61°. There are two shorter (1.99 Å) and two longer (2.06 Å) Li–O bond lengths. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent VO6 octahedra, and edges with four equivalent FeO6 octahedra. There is four shorter (1.97 Å) and two longer (1.98 Å) V–O bond length. Fe2+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent FeO6 octahedra, and edges with four equivalent VO6 octahedra. There are four shorter (2.03 Å) and two longer (2.09 Å) Fe–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, one V5+, and two equivalent Fe2+ atoms to form a mixture of distorted edge and corner-sharing OLiVFe2 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two equivalent V5+, and one Fe2+ atom.},
doi = {10.17188/1302827},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

Dataset:

Save / Share: