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Title: Materials Data on ErCo3 by Materials Project

Abstract

ErCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.08 Å. In the second Er site, Er is bonded in a distorted hexagonal planar geometry to eighteen Co atoms. There are six shorter (2.86 Å) and twelve longer (3.17 Å) Er–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Er and seven Co atoms to form a mixture of edge, face, and corner-sharing CoEr5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.41–2.52 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Er and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Er and six equivalent Co atoms to form CoEr6Co6 cuboctahedra that share corners with twelve equivalent CoEr5Co7 cuboctahedra, edges with six equivalent CoEr6Co6 cuboctahedra, and faces with eighteen equivalent CoEr5Co7 cuboctahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-411
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; ErCo3; Co-Er
OSTI Identifier:
1207862
DOI:
10.17188/1207862

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ErCo3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207862.
Persson, Kristin, & Project, Materials. Materials Data on ErCo3 by Materials Project. United States. doi:10.17188/1207862.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ErCo3 by Materials Project". United States. doi:10.17188/1207862. https://www.osti.gov/servlets/purl/1207862. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1207862,
title = {Materials Data on ErCo3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ErCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.08 Å. In the second Er site, Er is bonded in a distorted hexagonal planar geometry to eighteen Co atoms. There are six shorter (2.86 Å) and twelve longer (3.17 Å) Er–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Er and seven Co atoms to form a mixture of edge, face, and corner-sharing CoEr5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.41–2.52 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Er and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Er and six equivalent Co atoms to form CoEr6Co6 cuboctahedra that share corners with twelve equivalent CoEr5Co7 cuboctahedra, edges with six equivalent CoEr6Co6 cuboctahedra, and faces with eighteen equivalent CoEr5Co7 cuboctahedra.},
doi = {10.17188/1207862},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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