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Title: Materials Data on VFeO4 by Materials Project

Abstract

FeVO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There is two shorter (1.69 Å) and two longer (1.83 Å) V–O bond length. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are two shorter (2.04 Å) and four longer (2.06 Å) Fe–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Fe3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Fe3+ atom.

Publication Date:
Other Number(s):
mp-850978
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; VFeO4; Fe-O-V
OSTI Identifier:
1308878
DOI:
https://doi.org/10.17188/1308878

Citation Formats

The Materials Project. Materials Data on VFeO4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1308878.
The Materials Project. Materials Data on VFeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1308878
The Materials Project. 2017. "Materials Data on VFeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1308878. https://www.osti.gov/servlets/purl/1308878. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1308878,
title = {Materials Data on VFeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {FeVO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There is two shorter (1.69 Å) and two longer (1.83 Å) V–O bond length. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are two shorter (2.04 Å) and four longer (2.06 Å) Fe–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Fe3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Fe3+ atom.},
doi = {10.17188/1308878},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}