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Title: Materials Data on La2FeCoO6 by Materials Project

Abstract

La2FeCoO6 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 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.98 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. There are a spread of Fe–O bond distances ranging from 1.99–2.03 Å. Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. There are a spread of Co–O bond distances ranging from 1.96–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent La3+, one Fe3+, and one Co3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Fe3+, and one Co3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Fe3+, and one Co3+ atom.

Publication Date:
Other Number(s):
mp-1223373
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; La2FeCoO6; Co-Fe-La-O
OSTI Identifier:
1749772
DOI:
https://doi.org/10.17188/1749772

Citation Formats

The Materials Project. Materials Data on La2FeCoO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749772.
The Materials Project. Materials Data on La2FeCoO6 by Materials Project. United States. doi:https://doi.org/10.17188/1749772
The Materials Project. 2020. "Materials Data on La2FeCoO6 by Materials Project". United States. doi:https://doi.org/10.17188/1749772. https://www.osti.gov/servlets/purl/1749772. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749772,
title = {Materials Data on La2FeCoO6 by Materials Project},
author = {The Materials Project},
abstractNote = {La2FeCoO6 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 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.98 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. There are a spread of Fe–O bond distances ranging from 1.99–2.03 Å. Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 22–24°. There are a spread of Co–O bond distances ranging from 1.96–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent La3+, one Fe3+, and one Co3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Fe3+, and one Co3+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Fe3+, and one Co3+ atom.},
doi = {10.17188/1749772},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}