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Title: Materials Data on LaZnFeCoO6 by Materials Project

Abstract

LaFeCoZnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc 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 2.33–2.79 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 25–44°. There are a spread of Fe–O bond distances ranging from 1.96–2.05 Å. Co4+ 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 25–44°. There are a spread of Co–O bond distances ranging from 1.94–2.02 Å. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.08–2.48 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one La3+, one Fe3+, one Co4+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent La3+, one Fe3+, one Co4+, and one Zn2+ atom. In the third O2- site, O2-more » is bonded in a 5-coordinate geometry to two equivalent La3+, one Fe3+, one Co4+, and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one La3+, one Fe3+, one Co4+, and one Zn2+ atom. In the fifth O2- site, O2- is bonded to one La3+, one Fe3+, one Co4+, and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OLaZnFeCo trigonal pyramids. In the sixth O2- site, O2- is bonded to one La3+, one Fe3+, one Co4+, and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OLaZnFeCo trigonal pyramids.« less

Publication Date:
Other Number(s):
mvc-9020
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; LaZnFeCoO6; Co-Fe-La-O-Zn
OSTI Identifier:
1323334
DOI:
10.17188/1323334

Citation Formats

The Materials Project. Materials Data on LaZnFeCoO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1323334.
The Materials Project. Materials Data on LaZnFeCoO6 by Materials Project. United States. doi:10.17188/1323334.
The Materials Project. 2020. "Materials Data on LaZnFeCoO6 by Materials Project". United States. doi:10.17188/1323334. https://www.osti.gov/servlets/purl/1323334. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1323334,
title = {Materials Data on LaZnFeCoO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LaFeCoZnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc 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 2.33–2.79 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 25–44°. There are a spread of Fe–O bond distances ranging from 1.96–2.05 Å. Co4+ 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 25–44°. There are a spread of Co–O bond distances ranging from 1.94–2.02 Å. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.08–2.48 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one La3+, one Fe3+, one Co4+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent La3+, one Fe3+, one Co4+, and one Zn2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent La3+, one Fe3+, one Co4+, and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one La3+, one Fe3+, one Co4+, and one Zn2+ atom. In the fifth O2- site, O2- is bonded to one La3+, one Fe3+, one Co4+, and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OLaZnFeCo trigonal pyramids. In the sixth O2- site, O2- is bonded to one La3+, one Fe3+, one Co4+, and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OLaZnFeCo trigonal pyramids.},
doi = {10.17188/1323334},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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