U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La2VFeO6 by Materials Project
Abstract
La2VFeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.88 Å. V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 27–28°. There is two shorter (1.91 Å) and four longer (2.00 Å) V–O bond length. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 27–28°. There are a spread of Fe–O bond distances ranging from 2.08–2.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+, one V3+, and one Fe3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one V3+, and one Fe3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one V3+, and one Fe3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1223233
- 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; La2VFeO6; Fe-La-O-V
- OSTI Identifier:
- 1708747
- DOI:
- https://doi.org/10.17188/1708747
Citation Formats
The Materials Project. Materials Data on La2VFeO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1708747.
The Materials Project. Materials Data on La2VFeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1708747
The Materials Project. 2020.
"Materials Data on La2VFeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1708747. https://www.osti.gov/servlets/purl/1708747. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1708747,
title = {Materials Data on La2VFeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {La2VFeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.88 Å. V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 27–28°. There is two shorter (1.91 Å) and four longer (2.00 Å) V–O bond length. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 27–28°. There are a spread of Fe–O bond distances ranging from 2.08–2.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+, one V3+, and one Fe3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one V3+, and one Fe3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one V3+, and one Fe3+ atom.},
doi = {10.17188/1708747},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}